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

C20H17FN6O3 — CID 19514644

IUPAC4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide
SMILESCn1cc(NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)c(C(=O)NCc2ccco2)n1
InChIInChI=1S/C20H17FN6O3/c1-27-11-17(18(26-27)20(29)22-10-14-3-2-8-30-14)23-19(28)16-9-15(24-25-16)12-4-6-13(21)7-5-12/h2-9,11H,10H2,1H3,(H,22,29)(H,23,28)(H,24,25)
InChIKeyRVRPHNLXDDYATI-UHFFFAOYSA-N
MW408.39 g/mol
LogP2.72
Rot. Bonds6

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

4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide (PubChem CID 19514644) has the molecular formula C20H17FN6O3 and a molecular weight of 408.39 g/mol. Its IUPAC name is 4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide
PubChem CID19514644
Molecular FormulaC20H17FN6O3
Molecular Weight408.39 g/mol
Exact Mass408.13
IUPAC Name4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide
SMILESCn1cc(NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)c(C(=O)NCc2ccco2)n1
InChIInChI=1S/C20H17FN6O3/c1-27-11-17(18(26-27)20(29)22-10-14-3-2-8-30-14)23-19(28)16-9-15(24-25-16)12-4-6-13(21)7-5-12/h2-9,11H,10H2,1H3,(H,22,29)(H,23,28)(H,24,25)
InChIKeyRVRPHNLXDDYATI-UHFFFAOYSA-N
XLogP2.72
TPSA117.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.39
LogP ≤ 52.72
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 4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide (CID 19514644) is 4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide is Cn1cc(NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)c(C(=O)NCc2ccco2)n1.
What is the InChIKey of 4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is RVRPHNLXDDYATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6O3/c1-27-11-17(18(26-27)20(29)22-10-14-3-2-8-30-14)23-19(28)16-9-15(24-25-16)12-4-6-13(21)7-5-12/h2-9,11H,10H2,1H3,(H,22,29)(H,23,28)(H,24,25).
What are the key properties of 4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide?
4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 408.39 g/mol, XLogP of 2.72, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 19514644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).