N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide

C16H19N3O2 — CID 114751786

IUPACN-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(NCC1(CCO)CC1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C16H19N3O2/c20-9-8-16(6-7-16)11-17-15(21)14-10-13(18-19-14)12-4-2-1-3-5-12/h1-5,10,20H,6-9,11H2,(H,17,21)(H,18,19)
InChIKeyWCKGWCCHBZXGCT-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.97
Rot. Bonds6

About N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide

N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 114751786) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID114751786
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(NCC1(CCO)CC1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C16H19N3O2/c20-9-8-16(6-7-16)11-17-15(21)14-10-13(18-19-14)12-4-2-1-3-5-12/h1-5,10,20H,6-9,11H2,(H,17,21)(H,18,19)
InChIKeyWCKGWCCHBZXGCT-UHFFFAOYSA-N
XLogP1.97
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 43392945
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1H-indazole-3-carboxamide
CID 114751357
2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]ethylcarbamic acid
CID 118877078
N-(2-ethylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 115612805
bis(3-phenyl-1H-pyrazol-5-yl)methanone
CID 174669259
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 114751441
N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 103767439
N-(1-hydroxybutan-2-yl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 43418024
4-bromo-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1H-pyrrole-2-carboxamide
CID 114751196
N-(2-amino-2-ethylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide;hydrochloride
CID 119643000
3-(3,4-dimethylphenyl)-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-1H-pyrazole-5-carboxamide
CID 126792982
3-phenyl-N'-propanoyl-1H-pyrazole-5-carbohydrazide
CID 2677236

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide (CID 114751786) is N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide is O=C(NCC1(CCO)CC1)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is WCKGWCCHBZXGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-9-8-16(6-7-16)11-17-15(21)14-10-13(18-19-14)12-4-2-1-3-5-12/h1-5,10,20H,6-9,11H2,(H,17,21)(H,18,19).
What are the key properties of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.97, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 114751786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).