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

C15H16FN3O2 — CID 94633704

IUPACN-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-1H-pyrazole-5-carboxamide
SMILESO=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1ccn[nH]1
InChIInChI=1S/C15H16FN3O2/c16-11-5-3-10(4-6-11)14(13-2-1-9-21-13)18-15(20)12-7-8-17-19-12/h3-8,13-14H,1-2,9H2,(H,17,19)(H,18,20)/t13-,14+/m0/s1
InChIKeyDUZZGSUOSBTFBV-UONOGXRCSA-N
MW289.31 g/mol
LogP2.20
Rot. Bonds4

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

N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-1H-pyrazole-5-carboxamide (PubChem CID 94633704) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-1H-pyrazole-5-carboxamide
PubChem CID94633704
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC NameN-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-1H-pyrazole-5-carboxamide
SMILESO=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1ccn[nH]1
InChIInChI=1S/C15H16FN3O2/c16-11-5-3-10(4-6-11)14(13-2-1-9-21-13)18-15(20)12-7-8-17-19-12/h3-8,13-14H,1-2,9H2,(H,17,19)(H,18,20)/t13-,14+/m0/s1
InChIKeyDUZZGSUOSBTFBV-UONOGXRCSA-N
XLogP2.20
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 94633539
N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 75479531
N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 167985470
1-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-pyridin-2-ylurea
CID 94667001
N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-4-morpholin-4-ylbenzamide
CID 95047787
N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-4-pyrrol-1-ylbenzamide
CID 97018110
6-(dimethylamino)-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 94633691
1-(cyclopropylmethyl)-3-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]urea
CID 94666558
1-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-(1,3-thiazol-2-yl)urea
CID 94666979
N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 75479772
N-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 96545451
(5R)-N-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 95163432

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-1H-pyrazole-5-carboxamide (CID 94633704) is N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-1H-pyrazole-5-carboxamide is O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1ccn[nH]1.
What is the InChIKey of N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is DUZZGSUOSBTFBV-UONOGXRCSA-N. The full InChI is InChI=1S/C15H16FN3O2/c16-11-5-3-10(4-6-11)14(13-2-1-9-21-13)18-15(20)12-7-8-17-19-12/h3-8,13-14H,1-2,9H2,(H,17,19)(H,18,20)/t13-,14+/m0/s1.
What are the key properties of N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-1H-pyrazole-5-carboxamide?
N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 289.31 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 94633704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).