(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

C16H20F3N5O2 — CID 146111581

IUPAC(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
SMILESC[C@@H]1Cc2c(C(=O)NCCCc3cn[nH]c3C(F)(F)F)n[nH]c2[C@H](C)O1
InChIInChI=1S/C16H20F3N5O2/c1-8-6-11-12(9(2)26-8)22-23-13(11)15(25)20-5-3-4-10-7-21-24-14(10)16(17,18)19/h7-9H,3-6H2,1-2H3,(H,20,25)(H,21,24)(H,22,23)/t8-,9+/m1/s1
InChIKeyXPVZWJDFGCTHHY-BDAKNGLRSA-N
MW371.36 g/mol
LogP2.54
Rot. Bonds5

About (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

(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 (PubChem CID 146111581) has the molecular formula C16H20F3N5O2 and a molecular weight of 371.36 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID146111581
Molecular FormulaC16H20F3N5O2
Molecular Weight371.36 g/mol
Exact Mass371.16
IUPAC Name(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
SMILESC[C@@H]1Cc2c(C(=O)NCCCc3cn[nH]c3C(F)(F)F)n[nH]c2[C@H](C)O1
InChIInChI=1S/C16H20F3N5O2/c1-8-6-11-12(9(2)26-8)22-23-13(11)15(25)20-5-3-4-10-7-21-24-14(10)16(17,18)19/h7-9H,3-6H2,1-2H3,(H,20,25)(H,21,24)(H,22,23)/t8-,9+/m1/s1
InChIKeyXPVZWJDFGCTHHY-BDAKNGLRSA-N
XLogP2.54
TPSA95.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(5R,7S)-5,7-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146105146
(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)-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)-N-[2-(2-fluoro-3-methoxyphenyl)ethyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146111205
(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-[1-(1,1-difluoroethyl)cyclopropyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146102167
(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
4-amino-5-cyclopropyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1H-pyrazole-3-carboxamide
CID 62079735
(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-cyclopropylprop-2-ynyl)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 154799425
(5R,7S)-N,N-di(cyclobutyl)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146111255
(5S,7R)-N-[(5-methoxy-2-pyridinyl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146115459

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@@H]1Cc2c(C(=O)NCCCc3cn[nH]c3C(F)(F)F)n[nH]c2[C@H](C)O1.
What is the InChIKey of (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?
The InChIKey is XPVZWJDFGCTHHY-BDAKNGLRSA-N. The full InChI is InChI=1S/C16H20F3N5O2/c1-8-6-11-12(9(2)26-8)22-23-13(11)15(25)20-5-3-4-10-7-21-24-14(10)16(17,18)19/h7-9H,3-6H2,1-2H3,(H,20,25)(H,21,24)(H,22,23)/t8-,9+/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 371.36 g/mol, XLogP of 2.54, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 146111581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).