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

C18H22N6O3 — CID 19472218

IUPAC1-ethyl-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-3,5-dimethylpyrazole-4-carboxamide
SMILESCCn1nc(C)c(C(=O)Nc2cn(C)nc2C(=O)NCc2ccco2)c1C
InChIInChI=1S/C18H22N6O3/c1-5-24-12(3)15(11(2)21-24)17(25)20-14-10-23(4)22-16(14)18(26)19-9-13-7-6-8-27-13/h6-8,10H,5,9H2,1-4H3,(H,19,26)(H,20,25)
InChIKeyYXXBLPGNVPHQBD-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.03
Rot. Bonds6

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

1-ethyl-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-3,5-dimethylpyrazole-4-carboxamide (PubChem CID 19472218) has the molecular formula C18H22N6O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 1-ethyl-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-3,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-3,5-dimethylpyrazole-4-carboxamide
PubChem CID19472218
Molecular FormulaC18H22N6O3
Molecular Weight370.41 g/mol
Exact Mass370.18
IUPAC Name1-ethyl-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-3,5-dimethylpyrazole-4-carboxamide
SMILESCCn1nc(C)c(C(=O)Nc2cn(C)nc2C(=O)NCc2ccco2)c1C
InChIInChI=1S/C18H22N6O3/c1-5-24-12(3)15(11(2)21-24)17(25)20-14-10-23(4)22-16(14)18(26)19-9-13-7-6-8-27-13/h6-8,10H,5,9H2,1-4H3,(H,19,26)(H,20,25)
InChIKeyYXXBLPGNVPHQBD-UHFFFAOYSA-N
XLogP2.03
TPSA106.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-ethyl-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-3,5-dimethylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-N-[1-ethyl-3-(furan-2-ylmethylcarbamoyl)pyrazol-4-yl]-3,5-dimethylpyrazole-4-carboxamide
CID 19472207
1-ethyl-3,5-dimethyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]pyrazole-4-carboxamide
CID 19472242
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-[(1-methylpyrazole-4-carbonyl)amino]pyrazole-3-carboxamide
CID 19474684
N-(furan-2-ylmethyl)-1-methyl-4-[3-(5-methylpyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19570005
4-[[1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide
CID 19265001
1-ethyl-N-(furan-2-ylmethyl)-4-[(1-methyl-4-nitropyrazole-3-carbonyl)amino]pyrazole-3-carboxamide
CID 19264021
2-[2-[[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485639
4-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide
CID 19551876
4-[(2-bromobenzoyl)amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 19400207
1-ethyl-N-(furan-2-ylmethyl)-4-[(2-methylbenzoyl)amino]pyrazole-3-carboxamide
CID 19400381
1-ethyl-N-(furan-2-ylmethyl)-4-[(2-methylpyrazole-3-carbonyl)amino]pyrazole-3-carboxamide
CID 19475701

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-3,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-3,5-dimethylpyrazole-4-carboxamide (CID 19472218) is 1-ethyl-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-3,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-3,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-3,5-dimethylpyrazole-4-carboxamide is CCn1nc(C)c(C(=O)Nc2cn(C)nc2C(=O)NCc2ccco2)c1C.
What is the InChIKey of 1-ethyl-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-3,5-dimethylpyrazole-4-carboxamide?
The InChIKey is YXXBLPGNVPHQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O3/c1-5-24-12(3)15(11(2)21-24)17(25)20-14-10-23(4)22-16(14)18(26)19-9-13-7-6-8-27-13/h6-8,10H,5,9H2,1-4H3,(H,19,26)(H,20,25).
What are the key properties of 1-ethyl-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-3,5-dimethylpyrazole-4-carboxamide?
1-ethyl-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-3,5-dimethylpyrazole-4-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-3,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 19472218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).