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

C21H19FN6O3 — CID 19514633

IUPAC1-ethyl-4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)c(C(=O)NCc2ccco2)n1
InChIInChI=1S/C21H19FN6O3/c1-2-28-12-18(19(27-28)21(30)23-11-15-4-3-9-31-15)24-20(29)17-10-16(25-26-17)13-5-7-14(22)8-6-13/h3-10,12H,2,11H2,1H3,(H,23,30)(H,24,29)(H,25,26)
InChIKeyCTQOXRPTJSQDDJ-UHFFFAOYSA-N
MW422.42 g/mol
LogP3.21
Rot. Bonds7

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

1-ethyl-4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-N-(furan-2-ylmethyl)pyrazole-3-carboxamide (PubChem CID 19514633) has the molecular formula C21H19FN6O3 and a molecular weight of 422.42 g/mol. Its IUPAC name is 1-ethyl-4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-N-(furan-2-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
PubChem CID19514633
Molecular FormulaC21H19FN6O3
Molecular Weight422.42 g/mol
Exact Mass422.15
IUPAC Name1-ethyl-4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)c(C(=O)NCc2ccco2)n1
InChIInChI=1S/C21H19FN6O3/c1-2-28-12-18(19(27-28)21(30)23-11-15-4-3-9-31-15)24-20(29)17-10-16(25-26-17)13-5-7-14(22)8-6-13/h3-10,12H,2,11H2,1H3,(H,23,30)(H,24,29)(H,25,26)
InChIKeyCTQOXRPTJSQDDJ-UHFFFAOYSA-N
XLogP3.21
TPSA117.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.42
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(2-furyl)-3-methyl-1H-pyrazol-1-yl]-N-(3-phenylpropyl)acetamide
CID 5308195
N-benzyl-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide
CID 6620408
3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazole-4-carboxamide
CID 16291129
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 16295743
N-(furan-2-ylmethyl)-3-(2-methylphenyl)-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide
CID 42601302
4-(1-benzofuran-2-carbonylamino)-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide
CID 118714274
N-(4-methoxycyclohexyl)-4-[(5-phenylfuran-2-carbonyl)amino]-1H-pyrazole-5-carboxamide
CID 118714278
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-pyrazol-1-ylbenzamide
CID 16293111
3-Tert-butyl-5-[6-(furan-2-yl)-3-pyridinyl]-4-(2-methoxy-3-pyridinyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58365842
6-methyl-N-[5-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
CID 154654554
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 16293653
N-(furan-2-ylmethyl)-5-phenyl-1H-pyrazole-3-carboxamide
CID 8867965

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-N-(furan-2-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-N-(furan-2-ylmethyl)pyrazole-3-carboxamide (CID 19514633) is 1-ethyl-4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-N-(furan-2-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-N-(furan-2-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-N-(furan-2-ylmethyl)pyrazole-3-carboxamide is CCn1cc(NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)c(C(=O)NCc2ccco2)n1.
What is the InChIKey of 1-ethyl-4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-N-(furan-2-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is CTQOXRPTJSQDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6O3/c1-2-28-12-18(19(27-28)21(30)23-11-15-4-3-9-31-15)24-20(29)17-10-16(25-26-17)13-5-7-14(22)8-6-13/h3-10,12H,2,11H2,1H3,(H,23,30)(H,24,29)(H,25,26).
What are the key properties of 1-ethyl-4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-N-(furan-2-ylmethyl)pyrazole-3-carboxamide?
1-ethyl-4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-N-(furan-2-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 422.42 g/mol, XLogP of 3.21, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-N-(furan-2-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19514633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).