1-(2-chlorophenyl)-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxamide

C18H17ClN4O3 — CID 49333169

IUPAC1-(2-chlorophenyl)-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxamide
SMILESCC(NC(=O)c1ccn(-c2ccccc2Cl)n1)C(=O)NCc1ccco1
InChIInChI=1S/C18H17ClN4O3/c1-12(17(24)20-11-13-5-4-10-26-13)21-18(25)15-8-9-23(22-15)16-7-3-2-6-14(16)19/h2-10,12H,11H2,1H3,(H,20,24)(H,21,25)
InChIKeyDTAYMFRYJZEPRI-UHFFFAOYSA-N
MW372.81 g/mol
LogP2.55
Rot. Bonds6

About 1-(2-chlorophenyl)-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxamide

1-(2-chlorophenyl)-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxamide (PubChem CID 49333169) has the molecular formula C18H17ClN4O3 and a molecular weight of 372.81 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxamide
PubChem CID49333169
Molecular FormulaC18H17ClN4O3
Molecular Weight372.81 g/mol
Exact Mass372.10
IUPAC Name1-(2-chlorophenyl)-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxamide
SMILESCC(NC(=O)c1ccn(-c2ccccc2Cl)n1)C(=O)NCc1ccco1
InChIInChI=1S/C18H17ClN4O3/c1-12(17(24)20-11-13-5-4-10-26-13)21-18(25)15-8-9-23(22-15)16-7-3-2-6-14(16)19/h2-10,12H,11H2,1H3,(H,20,24)(H,21,25)
InChIKeyDTAYMFRYJZEPRI-UHFFFAOYSA-N
XLogP2.55
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chlorophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-3-carboxamide
CID 49376762
2-chloro-4-fluoro-N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]benzamide
CID 94811663
2-chloro-4-fluoro-N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]benzamide
CID 94811664
N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-4-pyrrol-1-ylbenzamide
CID 94814781
5-chloro-2-fluoro-N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]benzamide
CID 94811176
1-(2-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)pyrazole-3-carboxamide
CID 49488043
2-chloro-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-4-methoxybenzamide
CID 167977484
2-[(2,3-dichlorophenyl)methylamino]-N-(furan-2-ylmethyl)propanamide
CID 119129007
2-(2-bromo-3-chloroanilino)-N-(furan-2-ylmethyl)propanamide
CID 103479110
N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3-hydroxy-2-methylbenzamide
CID 97329400
N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 74586245
N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3,5-dimethoxybenzamide
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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxamide (CID 49333169) is 1-(2-chlorophenyl)-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxamide is CC(NC(=O)c1ccn(-c2ccccc2Cl)n1)C(=O)NCc1ccco1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxamide?
The InChIKey is DTAYMFRYJZEPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3/c1-12(17(24)20-11-13-5-4-10-26-13)21-18(25)15-8-9-23(22-15)16-7-3-2-6-14(16)19/h2-10,12H,11H2,1H3,(H,20,24)(H,21,25).
What are the key properties of 1-(2-chlorophenyl)-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxamide?
1-(2-chlorophenyl)-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxamide has a molecular weight of 372.81 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 49333169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).