5-(difluoromethyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1H-pyrazole-3-carboxamide

C15H16F2N4O2 — CID 135116297

IUPAC5-(difluoromethyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1H-pyrazole-3-carboxamide
SMILESO=C(N[C@H]1COC[C@H]1Cc1ccncc1)c1cc(C(F)F)[nH]n1
InChIInChI=1S/C15H16F2N4O2/c16-14(17)11-6-12(21-20-11)15(22)19-13-8-23-7-10(13)5-9-1-3-18-4-2-9/h1-4,6,10,13-14H,5,7-8H2,(H,19,22)(H,20,21)/t10-,13+/m1/s1
InChIKeyFKHRRJDTYPFRAU-MFKMUULPSA-N
MW322.32 g/mol
LogP1.73
Rot. Bonds5

About 5-(difluoromethyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1H-pyrazole-3-carboxamide

5-(difluoromethyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1H-pyrazole-3-carboxamide (PubChem CID 135116297) has the molecular formula C15H16F2N4O2 and a molecular weight of 322.32 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(difluoromethyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1H-pyrazole-3-carboxamide
PubChem CID135116297
Molecular FormulaC15H16F2N4O2
Molecular Weight322.32 g/mol
Exact Mass322.12
IUPAC Name5-(difluoromethyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1H-pyrazole-3-carboxamide
SMILESO=C(N[C@H]1COC[C@H]1Cc1ccncc1)c1cc(C(F)F)[nH]n1
InChIInChI=1S/C15H16F2N4O2/c16-14(17)11-6-12(21-20-11)15(22)19-13-8-23-7-10(13)5-9-1-3-18-4-2-9/h1-4,6,10,13-14H,5,7-8H2,(H,19,22)(H,20,21)/t10-,13+/m1/s1
InChIKeyFKHRRJDTYPFRAU-MFKMUULPSA-N
XLogP1.73
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(difluoromethyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1H-pyrazole-3-carboxamide with MolForge

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Related Compounds

2-amino-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1,3-thiazole-4-carboxamide
CID 135106889
4-tert-butyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 135106892
N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclopentanecarboxamide
CID 135107014
3,5-dimethoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134695838
4-chloro-1-methyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrrole-2-carboxamide
CID 135111451
1-methyl-5-oxo-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-4H-1,2,4-triazole-3-carboxamide
CID 162637258
4-hydroxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide
CID 135111249
4-piperidin-1-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 135096933
2-cyclopentyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135101855
4-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pentanamide
CID 134697099
3,4-diethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134705516
2-methoxy-5-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134711078

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(difluoromethyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1H-pyrazole-3-carboxamide (CID 135116297) is 5-(difluoromethyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(difluoromethyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(difluoromethyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1H-pyrazole-3-carboxamide is O=C(N[C@H]1COC[C@H]1Cc1ccncc1)c1cc(C(F)F)[nH]n1.
What is the InChIKey of 5-(difluoromethyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is FKHRRJDTYPFRAU-MFKMUULPSA-N. The full InChI is InChI=1S/C15H16F2N4O2/c16-14(17)11-6-12(21-20-11)15(22)19-13-8-23-7-10(13)5-9-1-3-18-4-2-9/h1-4,6,10,13-14H,5,7-8H2,(H,19,22)(H,20,21)/t10-,13+/m1/s1.
What are the key properties of 5-(difluoromethyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1H-pyrazole-3-carboxamide?
5-(difluoromethyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 322.32 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 135116297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).