4-[[2-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide

C17H19ClN6O3 — CID 19400558

IUPAC4-[[2-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide
SMILESCn1cc(NC(=O)C(C)(C)n2cc(Cl)cn2)c(C(=O)NCc2ccco2)n1
InChIInChI=1S/C17H19ClN6O3/c1-17(2,24-9-11(18)7-20-24)16(26)21-13-10-23(3)22-14(13)15(25)19-8-12-5-4-6-27-12/h4-7,9-10H,8H2,1-3H3,(H,19,25)(H,21,26)
InChIKeyHXQYGQMBQYDYIN-UHFFFAOYSA-N
MW390.83 g/mol
LogP2.17
Rot. Bonds6

About 4-[[2-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide

4-[[2-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide (PubChem CID 19400558) has the molecular formula C17H19ClN6O3 and a molecular weight of 390.83 g/mol. Its IUPAC name is 4-[[2-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[[2-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide
PubChem CID19400558
Molecular FormulaC17H19ClN6O3
Molecular Weight390.83 g/mol
Exact Mass390.12
IUPAC Name4-[[2-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide
SMILESCn1cc(NC(=O)C(C)(C)n2cc(Cl)cn2)c(C(=O)NCc2ccco2)n1
InChIInChI=1S/C17H19ClN6O3/c1-17(2,24-9-11(18)7-20-24)16(26)21-13-10-23(3)22-14(13)15(25)19-8-12-5-4-6-27-12/h4-7,9-10H,8H2,1-3H3,(H,19,25)(H,21,26)
InChIKeyHXQYGQMBQYDYIN-UHFFFAOYSA-N
XLogP2.17
TPSA106.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.83
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(furan-2-ylmethyl)-1-methyl-4-[(1-methylpyrazole-4-carbonyl)amino]pyrazole-3-carboxamide
CID 19474684
4-chloro-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-1,3-dimethylpyrazole-5-carboxamide
CID 19477079
N-(furan-2-ylmethyl)-1-methyl-4-[3-(5-methylpyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19570005
4-[(4-chloro-5-nitro-1H-pyrazole-3-carbonyl)amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide
CID 135803724
2-[2-[[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485639
N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414658
4-[[3-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 19570506
N-(furan-2-ylmethyl)-1-methyl-4-[[5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carbonyl]amino]pyrazole-3-carboxamide
CID 19400500
1-ethyl-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-3,5-dimethylpyrazole-4-carboxamide
CID 19472218
4-[[4-[(3-chlorophenoxy)methyl]benzoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide
CID 19400521
4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide
CID 19400409
N-(furan-2-ylmethyl)-1-methyl-4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide
CID 19416111

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-[[2-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide (CID 19400558) is 4-[[2-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[[2-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-[[2-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide is Cn1cc(NC(=O)C(C)(C)n2cc(Cl)cn2)c(C(=O)NCc2ccco2)n1.
What is the InChIKey of 4-[[2-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is HXQYGQMBQYDYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN6O3/c1-17(2,24-9-11(18)7-20-24)16(26)21-13-10-23(3)22-14(13)15(25)19-8-12-5-4-6-27-12/h4-7,9-10H,8H2,1-3H3,(H,19,25)(H,21,26).
What are the key properties of 4-[[2-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide?
4-[[2-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 390.83 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 19400558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).