1-benzyl-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyrazole-4-carboxamide

C21H19ClFN3O — CID 46632706

IUPAC1-benzyl-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyrazole-4-carboxamide
SMILESO=C(c1cnn(Cc2ccccc2)c1)N(Cc1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C21H19ClFN3O/c22-19-7-4-8-20(23)18(19)14-26(17-9-10-17)21(27)16-11-24-25(13-16)12-15-5-2-1-3-6-15/h1-8,11,13,17H,9-10,12,14H2
InChIKeySPXRFIPXNYVNHP-UHFFFAOYSA-N
MW383.85 g/mol
LogP4.53
Rot. Bonds6

About 1-benzyl-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyrazole-4-carboxamide

1-benzyl-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyrazole-4-carboxamide (PubChem CID 46632706) has the molecular formula C21H19ClFN3O and a molecular weight of 383.85 g/mol. Its IUPAC name is 1-benzyl-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyrazole-4-carboxamide
PubChem CID46632706
Molecular FormulaC21H19ClFN3O
Molecular Weight383.85 g/mol
Exact Mass383.12
IUPAC Name1-benzyl-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyrazole-4-carboxamide
SMILESO=C(c1cnn(Cc2ccccc2)c1)N(Cc1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C21H19ClFN3O/c22-19-7-4-8-20(23)18(19)14-26(17-9-10-17)21(27)16-11-24-25(13-16)12-15-5-2-1-3-6-15/h1-8,11,13,17H,9-10,12,14H2
InChIKeySPXRFIPXNYVNHP-UHFFFAOYSA-N
XLogP4.53
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.85
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-4-cyano-N-cyclopropylbenzamide
CID 17491721
3,6-dichloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyridine-2-carboxamide
CID 46533927
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 46553427
1-benzyl-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride
CID 91645692
N-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide
CID 175650160
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 134024767
1-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropyl-3-(3-pyrazol-1-ylpropyl)urea
CID 121494478
3-[[benzyl(methyl)carbamoyl]amino]-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpropanamide
CID 56516235
cis-(1R,3S)-3-[(2-chloro-6-fluorophenyl)methyl-cyclopropylcarbamoyl]cyclopentane-1-carboxylic acid
CID 171912650
[4-(1-benzylpyrazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone
CID 46564681
ethyl 1-[(2-chloro-6-fluorophenyl)methyl]pyrazole-4-carboxylate
CID 79970020
N-cyclopropyl-N-[(2,6-difluorophenyl)methyl]pyridine-3-carboxamide
CID 99795295

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyrazole-4-carboxamide (CID 46632706) is 1-benzyl-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyrazole-4-carboxamide is O=C(c1cnn(Cc2ccccc2)c1)N(Cc1c(F)cccc1Cl)C1CC1.
What is the InChIKey of 1-benzyl-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyrazole-4-carboxamide?
The InChIKey is SPXRFIPXNYVNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN3O/c22-19-7-4-8-20(23)18(19)14-26(17-9-10-17)21(27)16-11-24-25(13-16)12-15-5-2-1-3-6-15/h1-8,11,13,17H,9-10,12,14H2.
What are the key properties of 1-benzyl-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyrazole-4-carboxamide?
1-benzyl-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyrazole-4-carboxamide has a molecular weight of 383.85 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyrazole-4-carboxamide is sourced from PubChem (CID 46632706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).