1-cyclobutyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide

C19H21N5O — CID 136564835

IUPAC1-cyclobutyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
SMILESCn1cc(CNC(=O)c2cnn(C3CCC3)c2)c(-c2ccccc2)n1
InChIInChI=1S/C19H21N5O/c1-23-12-15(18(22-23)14-6-3-2-4-7-14)10-20-19(25)16-11-21-24(13-16)17-8-5-9-17/h2-4,6-7,11-13,17H,5,8-10H2,1H3,(H,20,25)
InChIKeyQOSWIJMLAOWLFT-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.94
Rot. Bonds5

About 1-cyclobutyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide

1-cyclobutyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide (PubChem CID 136564835) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-cyclobutyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclobutyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
PubChem CID136564835
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name1-cyclobutyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
SMILESCn1cc(CNC(=O)c2cnn(C3CCC3)c2)c(-c2ccccc2)n1
InChIInChI=1S/C19H21N5O/c1-23-12-15(18(22-23)14-6-3-2-4-7-14)10-20-19(25)16-11-21-24(13-16)17-8-5-9-17/h2-4,6-7,11-13,17H,5,8-10H2,1H3,(H,20,25)
InChIKeyQOSWIJMLAOWLFT-UHFFFAOYSA-N
XLogP2.94
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-N-[[2-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazole-4-carboxamide
CID 138037540
N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-ethylpyrazole-4-carboxamide
CID 19281007
4-[(1-methyl-3-phenylpyrazol-4-yl)methylcarbamoylamino]butanoic acid
CID 122009577
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1-methylpyrazole-4-carboxamide
CID 111661814
N-cyclopentyl-3-(1-methyl-3-phenylpyrazol-4-yl)propanamide
CID 53033030
1-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-3-(2-pyridin-2-ylethyl)urea
CID 75501790
4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide
CID 19290337
N-cyclopropyl-3-(1-methyl-3-phenylpyrazol-4-yl)propanamide
CID 53033035
4-fluoro-3-[[(1-methyl-3-phenylpyrazol-4-yl)methylamino]methyl]benzoic acid
CID 166226863
4-bromo-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-methylpyrazole-3-carboxamide
CID 19262748
1-cyclobutyl-N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]pyrazole-4-carboxamide
CID 138026627
3-(1-methyl-3-phenylpyrazol-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 95065889

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-cyclobutyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide (CID 136564835) is 1-cyclobutyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-cyclobutyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-cyclobutyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide is Cn1cc(CNC(=O)c2cnn(C3CCC3)c2)c(-c2ccccc2)n1.
What is the InChIKey of 1-cyclobutyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is QOSWIJMLAOWLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-23-12-15(18(22-23)14-6-3-2-4-7-14)10-20-19(25)16-11-21-24(13-16)17-8-5-9-17/h2-4,6-7,11-13,17H,5,8-10H2,1H3,(H,20,25).
What are the key properties of 1-cyclobutyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide?
1-cyclobutyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 136564835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).