N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide

C20H24FN7O — CID 119806208

IUPACN-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)NCCc2ccn(-c3ccc(F)cc3)n2)nnn1C1CCNCC1
InChIInChI=1S/C20H24FN7O/c1-14-19(24-26-28(14)18-7-10-22-11-8-18)20(29)23-12-6-16-9-13-27(25-16)17-4-2-15(21)3-5-17/h2-5,9,13,18,22H,6-8,10-12H2,1H3,(H,23,29)
InChIKeyPYRVZUVMOILIGU-UHFFFAOYSA-N
MW397.46 g/mol
LogP1.81
Rot. Bonds6

About N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide

N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119806208) has the molecular formula C20H24FN7O and a molecular weight of 397.46 g/mol. Its IUPAC name is N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119806208
Molecular FormulaC20H24FN7O
Molecular Weight397.46 g/mol
Exact Mass397.20
IUPAC NameN-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)NCCc2ccn(-c3ccc(F)cc3)n2)nnn1C1CCNCC1
InChIInChI=1S/C20H24FN7O/c1-14-19(24-26-28(14)18-7-10-22-11-8-18)20(29)23-12-6-16-9-13-27(25-16)17-4-2-15(21)3-5-17/h2-5,9,13,18,22H,6-8,10-12H2,1H3,(H,23,29)
InChIKeyPYRVZUVMOILIGU-UHFFFAOYSA-N
XLogP1.81
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]piperidine-4-carboxamide
CID 119336460
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119680112
N-(4-fluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670658
N-[(2,5-difluorophenyl)methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119709612
N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119869509
5-methyl-1-piperidin-4-yl-N-[(4-pyrazol-1-ylphenyl)methyl]triazole-4-carboxamide;hydrochloride
CID 119725262
N-[2-(4-methoxyphenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119673146
N-[2-(2-chlorophenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119705388
N-[3-[(3-fluorobenzoyl)amino]propyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119783271
N-[2-(5-chlorothiophen-2-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119735840
N-(2-cyclopropylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119790407
N-butyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671844

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide (CID 119806208) is N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide is Cc1c(C(=O)NCCc2ccn(-c3ccc(F)cc3)n2)nnn1C1CCNCC1.
What is the InChIKey of N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is PYRVZUVMOILIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN7O/c1-14-19(24-26-28(14)18-7-10-22-11-8-18)20(29)23-12-6-16-9-13-27(25-16)17-4-2-15(21)3-5-17/h2-5,9,13,18,22H,6-8,10-12H2,1H3,(H,23,29).
What are the key properties of N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 397.46 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119806208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).