4-[[2-[(4-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide

C21H19ClN6O4 — CID 19398268

IUPAC4-[[2-[(4-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(NC(=O)c2ccnn2COc2ccc(Cl)cc2)c1C(=O)NCc1ccco1
InChIInChI=1S/C21H19ClN6O4/c1-27-19(21(30)23-11-16-3-2-10-31-16)17(12-25-27)26-20(29)18-8-9-24-28(18)13-32-15-6-4-14(22)5-7-15/h2-10,12H,11,13H2,1H3,(H,23,30)(H,26,29)
InChIKeyRVXNRQXKHYVQCD-UHFFFAOYSA-N
MW454.87 g/mol
LogP3.08
Rot. Bonds8

About 4-[[2-[(4-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide

4-[[2-[(4-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide (PubChem CID 19398268) has the molecular formula C21H19ClN6O4 and a molecular weight of 454.87 g/mol. Its IUPAC name is 4-[[2-[(4-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[[2-[(4-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide
PubChem CID19398268
Molecular FormulaC21H19ClN6O4
Molecular Weight454.87 g/mol
Exact Mass454.12
IUPAC Name4-[[2-[(4-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(NC(=O)c2ccnn2COc2ccc(Cl)cc2)c1C(=O)NCc1ccco1
InChIInChI=1S/C21H19ClN6O4/c1-27-19(21(30)23-11-16-3-2-10-31-16)17(12-25-27)26-20(29)18-8-9-24-28(18)13-32-15-6-4-14(22)5-7-15/h2-10,12H,11,13H2,1H3,(H,23,30)(H,26,29)
InChIKeyRVXNRQXKHYVQCD-UHFFFAOYSA-N
XLogP3.08
TPSA116.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.87
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(4-chlorophenoxy)methyl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19338784
5-(2,4-dichlorophenyl)-N-[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-1,2-oxazole-3-carboxamide
CID 19398264
methyl 4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]benzoate
CID 19398212
4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19500316
4-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide
CID 19398223
2-[4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504711
2-[(4-chlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide
CID 19507567
2-[(4-chlorophenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19507370
N-(furan-2-ylmethyl)-1-methyl-4-[[3-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]pyrazole-5-carboxamide
CID 19398092
5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
CID 19623698
N-(furan-2-ylmethyl)-4-[(4-methoxy-3-nitrobenzoyl)amino]-1-methylpyrazole-5-carboxamide
CID 19398087
4-[[2-[(4-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide
CID 19400126

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(4-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-[[2-[(4-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide (CID 19398268) is 4-[[2-[(4-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-[[2-[(4-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-[[2-[(4-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide is Cn1ncc(NC(=O)c2ccnn2COc2ccc(Cl)cc2)c1C(=O)NCc1ccco1.
What is the InChIKey of 4-[[2-[(4-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is RVXNRQXKHYVQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN6O4/c1-27-19(21(30)23-11-16-3-2-10-31-16)17(12-25-27)26-20(29)18-8-9-24-28(18)13-32-15-6-4-14(22)5-7-15/h2-10,12H,11,13H2,1H3,(H,23,30)(H,26,29).
What are the key properties of 4-[[2-[(4-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide?
4-[[2-[(4-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 454.87 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(4-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 19398268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).