(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

C16H23N5O2 — CID 146101569

IUPAC(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
SMILESCc1n[nH]c(C)c1CCNC(=O)c1n[nH]c2c1C[C@@H](C)O[C@H]2C
InChIInChI=1S/C16H23N5O2/c1-8-7-13-14(11(4)23-8)20-21-15(13)16(22)17-6-5-12-9(2)18-19-10(12)3/h8,11H,5-7H2,1-4H3,(H,17,22)(H,18,19)(H,20,21)/t8-,11+/m1/s1
InChIKeyNEOSJVIDOSHKDA-KCJUWKMLSA-N
MW317.39 g/mol
LogP1.74
Rot. Bonds4

About (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

(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 (PubChem CID 146101569) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID146101569
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name(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
SMILESCc1n[nH]c(C)c1CCNC(=O)c1n[nH]c2c1C[C@@H](C)O[C@H]2C
InChIInChI=1S/C16H23N5O2/c1-8-7-13-14(11(4)23-8)20-21-15(13)16(22)17-6-5-12-9(2)18-19-10(12)3/h8,11H,5-7H2,1-4H3,(H,17,22)(H,18,19)(H,20,21)/t8-,11+/m1/s1
InChIKeyNEOSJVIDOSHKDA-KCJUWKMLSA-N
XLogP1.74
TPSA95.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (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 with MolForge

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Related Compounds

(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
(5R,7S)-5,7-dimethyl-N-(oxan-4-yl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146115156
(5R,7S)-5,7-dimethyl-N-[2-[(5-methyl-2-pyridinyl)amino]ethyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146111463
(5R,7S)-N-(3-cyclopropylprop-2-ynyl)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 154799425
(5S,7R)-N-[2-(2-fluoro-3-methoxyphenyl)ethyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146111205
(5S,7R)-N-[2-(4-chloro-3-methoxyphenyl)ethyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146111268
(5R,7S)-5,7-dimethyl-N-[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146111581
(5R,7S)-N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146111365
(5R,7S)-5,7-dimethyl-N-(1H-pyrazol-5-ylmethyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146102507
(5R,7S)-5,7-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146102519
(5R,7S)-5,7-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146102514
(5R,7S)-N-[(3,5-dimethyl-2-pyridinyl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 154799295

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1n[nH]c(C)c1CCNC(=O)c1n[nH]c2c1C[C@@H](C)O[C@H]2C.
What is the InChIKey of (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?
The InChIKey is NEOSJVIDOSHKDA-KCJUWKMLSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-8-7-13-14(11(4)23-8)20-21-15(13)16(22)17-6-5-12-9(2)18-19-10(12)3/h8,11H,5-7H2,1-4H3,(H,17,22)(H,18,19)(H,20,21)/t8-,11+/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 317.39 g/mol, XLogP of 1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 146101569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).