4-chloro-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-1,3-dimethylpyrazole-5-carboxamide

C16H17ClN6O3 — CID 19477079

IUPAC4-chloro-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)Nc2cn(C)nc2C(=O)NCc2ccco2)c1Cl
InChIInChI=1S/C16H17ClN6O3/c1-9-12(17)14(23(3)20-9)16(25)19-11-8-22(2)21-13(11)15(24)18-7-10-5-4-6-26-10/h4-6,8H,7H2,1-3H3,(H,18,24)(H,19,25)
InChIKeyCNDQYHVUHZPSCR-UHFFFAOYSA-N
MW376.80 g/mol
LogP1.89
Rot. Bonds5

About 4-chloro-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-1,3-dimethylpyrazole-5-carboxamide

4-chloro-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 19477079) has the molecular formula C16H17ClN6O3 and a molecular weight of 376.80 g/mol. Its IUPAC name is 4-chloro-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-1,3-dimethylpyrazole-5-carboxamide
PubChem CID19477079
Molecular FormulaC16H17ClN6O3
Molecular Weight376.80 g/mol
Exact Mass376.11
IUPAC Name4-chloro-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)Nc2cn(C)nc2C(=O)NCc2ccco2)c1Cl
InChIInChI=1S/C16H17ClN6O3/c1-9-12(17)14(23(3)20-9)16(25)19-11-8-22(2)21-13(11)15(24)18-7-10-5-4-6-26-10/h4-6,8H,7H2,1-3H3,(H,18,24)(H,19,25)
InChIKeyCNDQYHVUHZPSCR-UHFFFAOYSA-N
XLogP1.89
TPSA106.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.80
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-ethyl-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-3,5-dimethylpyrazole-4-carboxamide
CID 19472218
N-(furan-2-ylmethyl)-1-methyl-4-[(1-methylpyrazole-4-carbonyl)amino]pyrazole-3-carboxamide
CID 19474684
4-[(4-chloro-5-nitro-1H-pyrazole-3-carbonyl)amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide
CID 135803724
4-[[2-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide
CID 19400558
N-(furan-2-ylmethyl)-1-methyl-4-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]pyrazole-3-carboxamide
CID 19509229
N-(furan-2-ylmethyl)-1-methyl-4-[[1-[(2-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide
CID 19277564
4-[[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide
CID 19400516
2-[2-[[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485639
N-(furan-2-ylmethyl)-1-methyl-4-[3-(5-methylpyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19570005
4-[[4-[(3-chlorophenoxy)methyl]benzoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide
CID 19400521
N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512844
4-[[1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide
CID 19265001

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-1,3-dimethylpyrazole-5-carboxamide (CID 19477079) is 4-chloro-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-1,3-dimethylpyrazole-5-carboxamide is Cc1nn(C)c(C(=O)Nc2cn(C)nc2C(=O)NCc2ccco2)c1Cl.
What is the InChIKey of 4-chloro-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is CNDQYHVUHZPSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN6O3/c1-9-12(17)14(23(3)20-9)16(25)19-11-8-22(2)21-13(11)15(24)18-7-10-5-4-6-26-10/h4-6,8H,7H2,1-3H3,(H,18,24)(H,19,25).
What are the key properties of 4-chloro-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-1,3-dimethylpyrazole-5-carboxamide?
4-chloro-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 376.80 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 19477079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).