2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide

C21H27N3O — CID 51281385

IUPAC2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
SMILESCC(C)=CC1C(C(=O)NCc2ccccc2Cn2cccn2)C1(C)C
InChIInChI=1S/C21H27N3O/c1-15(2)12-18-19(21(18,3)4)20(25)22-13-16-8-5-6-9-17(16)14-24-11-7-10-23-24/h5-12,18-19H,13-14H2,1-4H3,(H,22,25)
InChIKeySOLNKJRHTMISHG-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.79
Rot. Bonds6

About 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide

2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide (PubChem CID 51281385) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
PubChem CID51281385
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
SMILESCC(C)=CC1C(C(=O)NCc2ccccc2Cn2cccn2)C1(C)C
InChIInChI=1S/C21H27N3O/c1-15(2)12-18-19(21(18,3)4)20(25)22-13-16-8-5-6-9-17(16)14-24-11-7-10-23-24/h5-12,18-19H,13-14H2,1-4H3,(H,22,25)
InChIKeySOLNKJRHTMISHG-UHFFFAOYSA-N
XLogP3.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

cis-(1R,3S)-2,2-dimethyl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 122065237
N-[[2-(methoxymethyl)phenyl]methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 134023213
cis-(1S,2R)-2-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 31953910
N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclobutanecarboxamide
CID 35955520
N-[(1,3-diphenylpyrazol-4-yl)methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 18208846
2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]cyclopropane-1-carboxamide
CID 24626058
2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 60604723
N-[(4-hydroxyphenyl)methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 47148517
2-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide
CID 24684926
(1S,3S,4S)-3-amino-4-hydroxy-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 155505277
1-(2-hydroxycyclohexyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 110933208
cis-(1R,3S)-2,2-dimethyl-3-[[4-(pyrazol-1-ylmethyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 122099583

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide (CID 51281385) is 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide is CC(C)=CC1C(C(=O)NCc2ccccc2Cn2cccn2)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide?
The InChIKey is SOLNKJRHTMISHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-15(2)12-18-19(21(18,3)4)20(25)22-13-16-8-5-6-9-17(16)14-24-11-7-10-23-24/h5-12,18-19H,13-14H2,1-4H3,(H,22,25).
What are the key properties of 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide?
2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 51281385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).