1-ethyl-4-[[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide

C18H22N6O3 — CID 19514042

IUPAC1-ethyl-4-[[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2cc(-c3ccco3)[nH]n2)c(C(=O)NCC(C)C)n1
InChIInChI=1S/C18H22N6O3/c1-4-24-10-14(16(23-24)18(26)19-9-11(2)3)20-17(25)13-8-12(21-22-13)15-6-5-7-27-15/h5-8,10-11H,4,9H2,1-3H3,(H,19,26)(H,20,25)(H,21,22)
InChIKeyPMXOQPLHCATEDW-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.52
Rot. Bonds7

About 1-ethyl-4-[[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide

1-ethyl-4-[[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide (PubChem CID 19514042) has the molecular formula C18H22N6O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 1-ethyl-4-[[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-[[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide
PubChem CID19514042
Molecular FormulaC18H22N6O3
Molecular Weight370.41 g/mol
Exact Mass370.18
IUPAC Name1-ethyl-4-[[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2cc(-c3ccco3)[nH]n2)c(C(=O)NCC(C)C)n1
InChIInChI=1S/C18H22N6O3/c1-4-24-10-14(16(23-24)18(26)19-9-11(2)3)20-17(25)13-8-12(21-22-13)15-6-5-7-27-15/h5-8,10-11H,4,9H2,1-3H3,(H,19,26)(H,20,25)(H,21,22)
InChIKeyPMXOQPLHCATEDW-UHFFFAOYSA-N
XLogP2.52
TPSA117.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-4-[[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide with MolForge

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Related Compounds

N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 19402672
1-ethyl-4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19514654
N-[(1-ethylpyrazol-4-yl)methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 19513881
N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 19514082
N-butan-2-yl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 19513917
5-(furan-2-yl)-N-[2-(propan-2-ylcarbamoyl)phenyl]-1H-pyrazole-3-carboxamide
CID 34564904
4-[(3-chlorophenyl)carbamoylamino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19448033
5-(furan-2-yl)-N-(1-methylindazol-4-yl)-1H-pyrazole-3-carboxamide
CID 146127327
1-ethyl-N-(2-methylpropyl)-4-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide
CID 19402547
N-(3-aminobutyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 119498062
4-[(4-bromo-1H-pyrazole-5-carbonyl)amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 19511407
1-ethyl-N-(furan-2-ylmethyl)-4-[(1-methyl-4-nitropyrazole-3-carbonyl)amino]pyrazole-3-carboxamide
CID 19264021

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-4-[[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide (CID 19514042) is 1-ethyl-4-[[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-4-[[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-4-[[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide is CCn1cc(NC(=O)c2cc(-c3ccco3)[nH]n2)c(C(=O)NCC(C)C)n1.
What is the InChIKey of 1-ethyl-4-[[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide?
The InChIKey is PMXOQPLHCATEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O3/c1-4-24-10-14(16(23-24)18(26)19-9-11(2)3)20-17(25)13-8-12(21-22-13)15-6-5-7-27-15/h5-8,10-11H,4,9H2,1-3H3,(H,19,26)(H,20,25)(H,21,22).
What are the key properties of 1-ethyl-4-[[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide?
1-ethyl-4-[[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 2.52, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19514042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).