1-(4-bromophenyl)-5-cyclopropyl-N-(pyrrolidin-2-ylmethyl)triazole-4-carboxamide

C17H20BrN5O — CID 119514720

IUPAC1-(4-bromophenyl)-5-cyclopropyl-N-(pyrrolidin-2-ylmethyl)triazole-4-carboxamide
SMILESO=C(NCC1CCCN1)c1nnn(-c2ccc(Br)cc2)c1C1CC1
InChIInChI=1S/C17H20BrN5O/c18-12-5-7-14(8-6-12)23-16(11-3-4-11)15(21-22-23)17(24)20-10-13-2-1-9-19-13/h5-8,11,13,19H,1-4,9-10H2,(H,20,24)
InChIKeyVLNHVMVDRIJGMH-UHFFFAOYSA-N
MW390.29 g/mol
LogP2.39
Rot. Bonds5

About 1-(4-bromophenyl)-5-cyclopropyl-N-(pyrrolidin-2-ylmethyl)triazole-4-carboxamide

1-(4-bromophenyl)-5-cyclopropyl-N-(pyrrolidin-2-ylmethyl)triazole-4-carboxamide (PubChem CID 119514720) has the molecular formula C17H20BrN5O and a molecular weight of 390.29 g/mol. Its IUPAC name is 1-(4-bromophenyl)-5-cyclopropyl-N-(pyrrolidin-2-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-5-cyclopropyl-N-(pyrrolidin-2-ylmethyl)triazole-4-carboxamide
PubChem CID119514720
Molecular FormulaC17H20BrN5O
Molecular Weight390.29 g/mol
Exact Mass389.09
IUPAC Name1-(4-bromophenyl)-5-cyclopropyl-N-(pyrrolidin-2-ylmethyl)triazole-4-carboxamide
SMILESO=C(NCC1CCCN1)c1nnn(-c2ccc(Br)cc2)c1C1CC1
InChIInChI=1S/C17H20BrN5O/c18-12-5-7-14(8-6-12)23-16(11-3-4-11)15(21-22-23)17(24)20-10-13-2-1-9-19-13/h5-8,11,13,19H,1-4,9-10H2,(H,20,24)
InChIKeyVLNHVMVDRIJGMH-UHFFFAOYSA-N
XLogP2.39
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.29
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromophenyl)-5-cyclopropyl-N-[2-(methylamino)ethyl]triazole-4-carboxamide;hydrochloride
CID 119504331
3-[[1-(4-bromophenyl)-5-cyclopropyltriazole-4-carbonyl]amino]butanoic acid
CID 119221057
1-(4-bromophenyl)-5-cyclopropyl-N-[2-(ethylamino)ethyl]triazole-4-carboxamide
CID 119509494
1-(4-bromophenyl)-5-cyclopropyl-N-[2-(ethylamino)ethyl]triazole-4-carboxamide;hydrochloride
CID 119509493
1-(4-bromophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119513926
2-(5-methyl-1-phenyltriazol-4-yl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119512728
1-(4-bromophenyl)-5-cyclopropyl-N-(4,5-dihydro-1,3-thiazol-2-yl)triazole-4-carboxamide
CID 52814311
5-cyclopropyl-1-(4-fluorophenyl)-N-(2-sulfamoylethyl)triazole-4-carboxamide
CID 51130190
1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
CID 119513306
4-bromo-1-ethyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
CID 119510103
5-ethyl-1-(4-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119511358
N-(2-cycloheptyloxyethyl)-5-cyclopropyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 86972051

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-5-cyclopropyl-N-(pyrrolidin-2-ylmethyl)triazole-4-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-5-cyclopropyl-N-(pyrrolidin-2-ylmethyl)triazole-4-carboxamide (CID 119514720) is 1-(4-bromophenyl)-5-cyclopropyl-N-(pyrrolidin-2-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-5-cyclopropyl-N-(pyrrolidin-2-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-5-cyclopropyl-N-(pyrrolidin-2-ylmethyl)triazole-4-carboxamide is O=C(NCC1CCCN1)c1nnn(-c2ccc(Br)cc2)c1C1CC1.
What is the InChIKey of 1-(4-bromophenyl)-5-cyclopropyl-N-(pyrrolidin-2-ylmethyl)triazole-4-carboxamide?
The InChIKey is VLNHVMVDRIJGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN5O/c18-12-5-7-14(8-6-12)23-16(11-3-4-11)15(21-22-23)17(24)20-10-13-2-1-9-19-13/h5-8,11,13,19H,1-4,9-10H2,(H,20,24).
What are the key properties of 1-(4-bromophenyl)-5-cyclopropyl-N-(pyrrolidin-2-ylmethyl)triazole-4-carboxamide?
1-(4-bromophenyl)-5-cyclopropyl-N-(pyrrolidin-2-ylmethyl)triazole-4-carboxamide has a molecular weight of 390.29 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-5-cyclopropyl-N-(pyrrolidin-2-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 119514720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).