N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-phenylpyrazole-3-carboxamide

C15H17N3O2 — CID 80712093

IUPACN-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-phenylpyrazole-3-carboxamide
SMILESO=C(NCC1(CO)CC1)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C15H17N3O2/c19-11-15(7-8-15)10-16-14(20)13-6-9-18(17-13)12-4-2-1-3-5-12/h1-6,9,19H,7-8,10-11H2,(H,16,20)
InChIKeyRWOXFCUZASMSRO-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.37
Rot. Bonds5

About N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-phenylpyrazole-3-carboxamide

N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-phenylpyrazole-3-carboxamide (PubChem CID 80712093) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-phenylpyrazole-3-carboxamide
PubChem CID80712093
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-phenylpyrazole-3-carboxamide
SMILESO=C(NCC1(CO)CC1)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C15H17N3O2/c19-11-15(7-8-15)10-16-14(20)13-6-9-18(17-13)12-4-2-1-3-5-12/h1-6,9,19H,7-8,10-11H2,(H,16,20)
InChIKeyRWOXFCUZASMSRO-UHFFFAOYSA-N
XLogP1.37
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methyloxetan-3-yl)methyl]-1-phenylpyrazole-3-carboxamide
CID 78957455
N-(4-hydroxybutyl)-1-phenylpyrazole-3-carboxamide
CID 106843256
1-phenyl-N-prop-2-enylpyrazole-3-carboxamide
CID 60756667
methyl 2-[(1-phenylpyrazole-3-carbonyl)amino]acetate
CID 38021237
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-1-phenylpyrazole-3-carboxamide
CID 52690055
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-pyrrol-1-ylbenzamide
CID 80716345
1-phenyl-N-(2-phenylsulfanylethyl)pyrazole-3-carboxamide
CID 39943724
N-[4-(2-hydroxyethoxy)phenyl]-1-phenylpyrazole-3-carboxamide
CID 111116210
N-[2-(cycloheptylamino)ethyl]-1-phenylpyrazole-3-carboxamide
CID 119621404
N-[2-[di(propan-2-yl)amino]ethyl]-1-phenylpyrazole-3-carboxamide
CID 39954880
1-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrazole-3-carboxamide
CID 71685669
1-phenyl-N'-(2-phenylacetyl)pyrazole-3-carbohydrazide
CID 46450468

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-phenylpyrazole-3-carboxamide (CID 80712093) is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-phenylpyrazole-3-carboxamide is O=C(NCC1(CO)CC1)c1ccn(-c2ccccc2)n1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-phenylpyrazole-3-carboxamide?
The InChIKey is RWOXFCUZASMSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-11-15(7-8-15)10-16-14(20)13-6-9-18(17-13)12-4-2-1-3-5-12/h1-6,9,19H,7-8,10-11H2,(H,16,20).
What are the key properties of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-phenylpyrazole-3-carboxamide?
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-phenylpyrazole-3-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 80712093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).