N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-1-(4-fluorophenyl)triazole-4-carboxamide

C16H18FN5O — CID 95293281

IUPACN-[(3S)-1-cyclopropylpyrrolidin-3-yl]-1-(4-fluorophenyl)triazole-4-carboxamide
SMILESO=C(N[C@H]1CCN(C2CC2)C1)c1cn(-c2ccc(F)cc2)nn1
InChIInChI=1S/C16H18FN5O/c17-11-1-3-14(4-2-11)22-10-15(19-20-22)16(23)18-12-7-8-21(9-12)13-5-6-13/h1-4,10,12-13H,5-9H2,(H,18,23)/t12-/m0/s1
InChIKeyZMOPEEZTQPBHKH-LBPRGKRZSA-N
MW315.35 g/mol
LogP1.37
Rot. Bonds4

About N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-1-(4-fluorophenyl)triazole-4-carboxamide

N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-1-(4-fluorophenyl)triazole-4-carboxamide (PubChem CID 95293281) has the molecular formula C16H18FN5O and a molecular weight of 315.35 g/mol. Its IUPAC name is N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-1-(4-fluorophenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-cyclopropylpyrrolidin-3-yl]-1-(4-fluorophenyl)triazole-4-carboxamide
PubChem CID95293281
Molecular FormulaC16H18FN5O
Molecular Weight315.35 g/mol
Exact Mass315.15
IUPAC NameN-[(3S)-1-cyclopropylpyrrolidin-3-yl]-1-(4-fluorophenyl)triazole-4-carboxamide
SMILESO=C(N[C@H]1CCN(C2CC2)C1)c1cn(-c2ccc(F)cc2)nn1
InChIInChI=1S/C16H18FN5O/c17-11-1-3-14(4-2-11)22-10-15(19-20-22)16(23)18-12-7-8-21(9-12)13-5-6-13/h1-4,10,12-13H,5-9H2,(H,18,23)/t12-/m0/s1
InChIKeyZMOPEEZTQPBHKH-LBPRGKRZSA-N
XLogP1.37
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-cyclopropylpyrrolidin-3-yl)-1-phenylpyrazole-3-carboxamide
CID 51100168
N-(1-cyclopropylpyrrolidin-3-yl)-2H-triazole-4-carboxamide
CID 47937761
2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-fluorobenzamide
CID 63110384
5-amino-N-(1-cyclopropylpyrrolidin-3-yl)pyridine-2-carboxamide
CID 81317228
N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]triazole-4-carboxamide
CID 68514420
6-chloro-N-(1-cyclopropylpyrrolidin-3-yl)pyridine-2-carboxamide
CID 62233324
(4-aminopiperidin-1-yl)-[1-(4-fluorophenyl)triazol-4-yl]methanone
CID 53491083
4-[(1-phenyltriazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119230187
1-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]triazole-4-carboxamide
CID 110922720
1-phenyl-N-piperidin-3-yltriazole-4-carboxamide
CID 119425815
N-cyclohexyl-1-(4-fluoro-3-methylphenyl)triazole-4-carboxamide
CID 53332665
N-(1-cyclopropylpyrrolidin-3-yl)-3,4-difluorobenzamide
CID 47938545

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-1-(4-fluorophenyl)triazole-4-carboxamide?
The IUPAC name of N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-1-(4-fluorophenyl)triazole-4-carboxamide (CID 95293281) is N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-1-(4-fluorophenyl)triazole-4-carboxamide.
What is the SMILES notation for N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-1-(4-fluorophenyl)triazole-4-carboxamide?
The canonical SMILES for N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-1-(4-fluorophenyl)triazole-4-carboxamide is O=C(N[C@H]1CCN(C2CC2)C1)c1cn(-c2ccc(F)cc2)nn1.
What is the InChIKey of N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-1-(4-fluorophenyl)triazole-4-carboxamide?
The InChIKey is ZMOPEEZTQPBHKH-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18FN5O/c17-11-1-3-14(4-2-11)22-10-15(19-20-22)16(23)18-12-7-8-21(9-12)13-5-6-13/h1-4,10,12-13H,5-9H2,(H,18,23)/t12-/m0/s1.
What are the key properties of N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-1-(4-fluorophenyl)triazole-4-carboxamide?
N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-1-(4-fluorophenyl)triazole-4-carboxamide has a molecular weight of 315.35 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-1-(4-fluorophenyl)triazole-4-carboxamide is sourced from PubChem (CID 95293281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).