5-(2-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)-1H-pyrazole-4-carboxamide

C21H21FN4O2 — CID 126426959

IUPAC5-(2-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)-1H-pyrazole-4-carboxamide
SMILESO=C(c1cn[nH]c1-c1ccccc1F)N(Cc1ccncc1)C[C@@H]1CCCO1
InChIInChI=1S/C21H21FN4O2/c22-19-6-2-1-5-17(19)20-18(12-24-25-20)21(27)26(14-16-4-3-11-28-16)13-15-7-9-23-10-8-15/h1-2,5-10,12,16H,3-4,11,13-14H2,(H,24,25)/t16-/m0/s1
InChIKeyZBPBKYYIGXRMBJ-INIZCTEOSA-N
MW380.42 g/mol
LogP3.43
Rot. Bonds6

About 5-(2-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)-1H-pyrazole-4-carboxamide

5-(2-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)-1H-pyrazole-4-carboxamide (PubChem CID 126426959) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)-1H-pyrazole-4-carboxamide
PubChem CID126426959
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name5-(2-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)-1H-pyrazole-4-carboxamide
SMILESO=C(c1cn[nH]c1-c1ccccc1F)N(Cc1ccncc1)C[C@@H]1CCCO1
InChIInChI=1S/C21H21FN4O2/c22-19-6-2-1-5-17(19)20-18(12-24-25-20)21(27)26(14-16-4-3-11-28-16)13-15-7-9-23-10-8-15/h1-2,5-10,12,16H,3-4,11,13-14H2,(H,24,25)/t16-/m0/s1
InChIKeyZBPBKYYIGXRMBJ-INIZCTEOSA-N
XLogP3.43
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[(4-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 51895882
N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-4-carboxamide
CID 97186747
[(2S)-oxolan-2-yl]methyl-(pyridin-4-ylmethyl)carbamic acid;hydrochloride
CID 66997327
N-[[4-(dimethylamino)phenyl]methyl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 19118894
1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)imidazo[2,1-e]pyrazole-7-carboxamide
CID 95133340
2-chloro-N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 19118818
5-(4-chlorophenyl)-N-ethyl-N-(oxolan-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 49490501
3-chloro-4-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)benzamide
CID 97347862
2-fluoro-6-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 99582902
3-oxo-N-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide
CID 99954668
2-chloro-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 19120008
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-4-carboxamide
CID 25292090

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(2-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)-1H-pyrazole-4-carboxamide (CID 126426959) is 5-(2-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(2-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(2-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)-1H-pyrazole-4-carboxamide is O=C(c1cn[nH]c1-c1ccccc1F)N(Cc1ccncc1)C[C@@H]1CCCO1.
What is the InChIKey of 5-(2-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is ZBPBKYYIGXRMBJ-INIZCTEOSA-N. The full InChI is InChI=1S/C21H21FN4O2/c22-19-6-2-1-5-17(19)20-18(12-24-25-20)21(27)26(14-16-4-3-11-28-16)13-15-7-9-23-10-8-15/h1-2,5-10,12,16H,3-4,11,13-14H2,(H,24,25)/t16-/m0/s1.
What are the key properties of 5-(2-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)-1H-pyrazole-4-carboxamide?
5-(2-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 126426959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).