1-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-N-methylpyrazole-4-carboxamide

C17H16ClN3O2 — CID 38077636

IUPAC1-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-N-methylpyrazole-4-carboxamide
SMILESCN(Cc1ccco1)C(=O)c1cnn(Cc2ccccc2Cl)c1
InChIInChI=1S/C17H16ClN3O2/c1-20(12-15-6-4-8-23-15)17(22)14-9-19-21(11-14)10-13-5-2-3-7-16(13)18/h2-9,11H,10,12H2,1H3
InChIKeyHVKAEJPXNZXEPW-UHFFFAOYSA-N
MW329.79 g/mol
LogP3.45
Rot. Bonds5

About 1-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-N-methylpyrazole-4-carboxamide

1-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-N-methylpyrazole-4-carboxamide (PubChem CID 38077636) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-N-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-N-methylpyrazole-4-carboxamide
PubChem CID38077636
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Name1-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-N-methylpyrazole-4-carboxamide
SMILESCN(Cc1ccco1)C(=O)c1cnn(Cc2ccccc2Cl)c1
InChIInChI=1S/C17H16ClN3O2/c1-20(12-15-6-4-8-23-15)17(22)14-9-19-21(11-14)10-13-5-2-3-7-16(13)18/h2-9,11H,10,12H2,1H3
InChIKeyHVKAEJPXNZXEPW-UHFFFAOYSA-N
XLogP3.45
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-N-methyl-6-oxopyridine-3-carboxamide
CID 18111836
1-[(2-chlorophenyl)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pyrazole-4-carboxamide
CID 51272609
N-[(2-chloro-5-nitrophenyl)methyl]-1-[(2-chlorophenyl)methyl]-N-methylpyrazole-4-carboxamide
CID 134016077
N-(3-amino-2,2-dimethylpropyl)-1-[(2-chlorophenyl)methyl]-N-methylpyrazole-4-carboxamide
CID 119656188
1-benzyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-4-carboxamide
CID 29221167
[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 38909971
1-[(2-chlorophenyl)methyl]-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylpyrazole-4-carboxamide
CID 34391952
N-(1-aminopropan-2-yl)-1-[(2-chlorophenyl)methyl]-N-methylpyrazole-4-carboxamide;hydrochloride
CID 119584478
ethyl 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate
CID 52560491
2-amino-6-chloro-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 55246430
1-[(2-chlorophenyl)methyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]pyrazole-4-carboxamide
CID 18161482
[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 32534053

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-N-methylpyrazole-4-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-N-methylpyrazole-4-carboxamide (CID 38077636) is 1-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-N-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-N-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-N-methylpyrazole-4-carboxamide is CN(Cc1ccco1)C(=O)c1cnn(Cc2ccccc2Cl)c1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-N-methylpyrazole-4-carboxamide?
The InChIKey is HVKAEJPXNZXEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-20(12-15-6-4-8-23-15)17(22)14-9-19-21(11-14)10-13-5-2-3-7-16(13)18/h2-9,11H,10,12H2,1H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-N-methylpyrazole-4-carboxamide?
1-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-N-methylpyrazole-4-carboxamide has a molecular weight of 329.79 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-N-methylpyrazole-4-carboxamide is sourced from PubChem (CID 38077636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).