N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide

C15H17N3O2 — CID 80712390

IUPACN-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide
SMILESO=C(NCC1(CO)CC1)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C15H17N3O2/c19-10-15(6-7-15)9-16-14(20)12-8-17-18-13(12)11-4-2-1-3-5-11/h1-5,8,19H,6-7,9-10H2,(H,16,20)(H,17,18)
InChIKeyYROIPSRHNCEHBF-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.58
Rot. Bonds5

About N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide

N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide (PubChem CID 80712390) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide
PubChem CID80712390
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide
SMILESO=C(NCC1(CO)CC1)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C15H17N3O2/c19-10-15(6-7-15)9-16-14(20)12-8-17-18-13(12)11-4-2-1-3-5-11/h1-5,8,19H,6-7,9-10H2,(H,16,20)(H,17,18)
InChIKeyYROIPSRHNCEHBF-UHFFFAOYSA-N
XLogP1.58
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(hydroxymethyl)cyclopentyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 62518947
3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoic acid
CID 43354670
methyl 3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoate
CID 60712516
N-[2-(methylamino)propyl]-5-phenyl-1H-pyrazole-4-carboxamide;hydrochloride
CID 120830450
5-phenyl-N-(3-pyridin-2-ylpropyl)-1H-pyrazole-4-carboxamide
CID 72935188
N-[(1-hydroxycyclohexyl)methyl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 111485817
N-benzyl-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824647
5-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrazole-4-carboxamide;hydrochloride
CID 120887918
N-[2-(4-chloropyrazol-1-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 72913584
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-iodobenzamide
CID 113294004
5-phenyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 25342036
N-[2-(1H-imidazol-2-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 115620205

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide (CID 80712390) is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide is O=C(NCC1(CO)CC1)c1cn[nH]c1-c1ccccc1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The InChIKey is YROIPSRHNCEHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-10-15(6-7-15)9-16-14(20)12-8-17-18-13(12)11-4-2-1-3-5-11/h1-5,8,19H,6-7,9-10H2,(H,16,20)(H,17,18).
What are the key properties of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide?
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 80712390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).