N-[[(2S)-oxolan-2-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide

C15H17N3O2 — CID 50985207

IUPACN-[[(2S)-oxolan-2-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C15H17N3O2/c19-15(16-10-12-7-4-8-20-12)14-9-13(17-18-14)11-5-2-1-3-6-11/h1-3,5-6,9,12H,4,7-8,10H2,(H,16,19)(H,17,18)/t12-/m0/s1
InChIKeyHMKPXYOGKIEWHZ-LBPRGKRZSA-N
MW271.32 g/mol
LogP1.99
Rot. Bonds4

About N-[[(2S)-oxolan-2-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide

N-[[(2S)-oxolan-2-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 50985207) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID50985207
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C15H17N3O2/c19-15(16-10-12-7-4-8-20-12)14-9-13(17-18-14)11-5-2-1-3-6-11/h1-3,5-6,9,12H,4,7-8,10H2,(H,16,19)(H,17,18)/t12-/m0/s1
InChIKeyHMKPXYOGKIEWHZ-LBPRGKRZSA-N
XLogP1.99
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 19510216
3-(4-bromophenyl)-N-(oxolan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 20918075
3-amino-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-5-carboxamide
CID 95369014
N-(oxolan-2-ylmethyl)-6-phenylpyridazine-3-carboxamide
CID 113200525
N-[[(2S)-oxolan-2-yl]methyl]-2-phenylbenzamide
CID 686682
N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093732
3-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51854999
N-(oxolan-2-ylmethyl)-1H-indazole-3-carboxamide
CID 4877074
N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 2964205
3-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 40649827
N-(oxolan-2-ylmethyl)-5-phenylpyridine-2-carboxamide
CID 110683568
N-(oxolan-2-ylmethyl)-3-(1H-pyrazol-4-yl)benzamide
CID 110486700

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide (CID 50985207) is N-[[(2S)-oxolan-2-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide is O=C(NC[C@@H]1CCCO1)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is HMKPXYOGKIEWHZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-15(16-10-12-7-4-8-20-12)14-9-13(17-18-14)11-5-2-1-3-6-11/h1-3,5-6,9,12H,4,7-8,10H2,(H,16,19)(H,17,18)/t12-/m0/s1.
What are the key properties of N-[[(2S)-oxolan-2-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
N-[[(2S)-oxolan-2-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxolan-2-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 50985207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).