(5S,7R)-N-(2-methoxyethyl)-5,7-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide

C19H29N5O3 — CID 146111304

IUPAC(5S,7R)-N-(2-methoxyethyl)-5,7-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
SMILESCOCCN(Cc1c(C)nn(C)c1C)C(=O)c1n[nH]c2c1C[C@H](C)O[C@@H]2C
InChIInChI=1S/C19H29N5O3/c1-11-9-15-17(14(4)27-11)20-21-18(15)19(25)24(7-8-26-6)10-16-12(2)22-23(5)13(16)3/h11,14H,7-10H2,1-6H3,(H,20,21)/t11-,14+/m0/s1
InChIKeyLNKBLBMXUFXMNH-SMDDNHRTSA-N
MW375.47 g/mol
LogP2.07
Rot. Bonds6

About (5S,7R)-N-(2-methoxyethyl)-5,7-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide

(5S,7R)-N-(2-methoxyethyl)-5,7-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide (PubChem CID 146111304) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is (5S,7R)-N-(2-methoxyethyl)-5,7-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name(5S,7R)-N-(2-methoxyethyl)-5,7-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
PubChem CID146111304
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Name(5S,7R)-N-(2-methoxyethyl)-5,7-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
SMILESCOCCN(Cc1c(C)nn(C)c1C)C(=O)c1n[nH]c2c1C[C@H](C)O[C@@H]2C
InChIInChI=1S/C19H29N5O3/c1-11-9-15-17(14(4)27-11)20-21-18(15)19(25)24(7-8-26-6)10-16-12(2)22-23(5)13(16)3/h11,14H,7-10H2,1-6H3,(H,20,21)/t11-,14+/m0/s1
InChIKeyLNKBLBMXUFXMNH-SMDDNHRTSA-N
XLogP2.07
TPSA85.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5S,7R)-N-(2-methoxyethyl)-5,7-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide with MolForge

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Related Compounds

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(5S,7R)-N-(2-hydroxyethyl)-N-[(4-methoxyphenyl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146101797
(5S,7R)-5,7-dimethyl-N-(2-methylpropyl)-N-propan-2-yl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
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N-(2-methoxyethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide
CID 77087479
(5R,7S)-N-(3-hydroxypropyl)-N,5,7-trimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146103143
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[2-methoxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]ethanone
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(5S,7R)-N-(2-methoxyethyl)-1,5,7-trimethyl-N-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
CID 167878216
(5R,7S)-N-(3-cyclopropylprop-2-ynyl)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 154799425
(5R,7S)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146101569
[(5S,7R)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(2-methoxyethyl)-2,2-dimethylpiperazin-1-yl]methanone
CID 146111341
(5S,7R)-N-[(3,4-dimethoxyphenyl)methyl]-N,5,7-trimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
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(5R,7S)-5,7-dimethyl-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 154802631

Frequently Asked Questions

What is the IUPAC name of (5S,7R)-N-(2-methoxyethyl)-5,7-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The IUPAC name of (5S,7R)-N-(2-methoxyethyl)-5,7-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide (CID 146111304) is (5S,7R)-N-(2-methoxyethyl)-5,7-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide.
What is the SMILES notation for (5S,7R)-N-(2-methoxyethyl)-5,7-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The canonical SMILES for (5S,7R)-N-(2-methoxyethyl)-5,7-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide is COCCN(Cc1c(C)nn(C)c1C)C(=O)c1n[nH]c2c1C[C@H](C)O[C@@H]2C.
What is the InChIKey of (5S,7R)-N-(2-methoxyethyl)-5,7-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The InChIKey is LNKBLBMXUFXMNH-SMDDNHRTSA-N. The full InChI is InChI=1S/C19H29N5O3/c1-11-9-15-17(14(4)27-11)20-21-18(15)19(25)24(7-8-26-6)10-16-12(2)22-23(5)13(16)3/h11,14H,7-10H2,1-6H3,(H,20,21)/t11-,14+/m0/s1.
What are the key properties of (5S,7R)-N-(2-methoxyethyl)-5,7-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
(5S,7R)-N-(2-methoxyethyl)-5,7-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R)-N-(2-methoxyethyl)-5,7-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide is sourced from PubChem (CID 146111304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).