5-cyclopropyl-N-[4-(dipropylcarbamoyl)phenyl]-1-(4-methylphenyl)triazole-4-carboxamide

C26H31N5O2 — CID 86874499

IUPAC5-cyclopropyl-N-[4-(dipropylcarbamoyl)phenyl]-1-(4-methylphenyl)triazole-4-carboxamide
SMILESCCCN(CCC)C(=O)c1ccc(NC(=O)c2nnn(-c3ccc(C)cc3)c2C2CC2)cc1
InChIInChI=1S/C26H31N5O2/c1-4-16-30(17-5-2)26(33)20-10-12-21(13-11-20)27-25(32)23-24(19-8-9-19)31(29-28-23)22-14-6-18(3)7-15-22/h6-7,10-15,19H,4-5,8-9,16-17H2,1-3H3,(H,27,32)
InChIKeySSTDZMHJMKTIDC-UHFFFAOYSA-N
MW445.57 g/mol
LogP4.97
Rot. Bonds9

About 5-cyclopropyl-N-[4-(dipropylcarbamoyl)phenyl]-1-(4-methylphenyl)triazole-4-carboxamide

5-cyclopropyl-N-[4-(dipropylcarbamoyl)phenyl]-1-(4-methylphenyl)triazole-4-carboxamide (PubChem CID 86874499) has the molecular formula C26H31N5O2 and a molecular weight of 445.57 g/mol. Its IUPAC name is 5-cyclopropyl-N-[4-(dipropylcarbamoyl)phenyl]-1-(4-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[4-(dipropylcarbamoyl)phenyl]-1-(4-methylphenyl)triazole-4-carboxamide
PubChem CID86874499
Molecular FormulaC26H31N5O2
Molecular Weight445.57 g/mol
Exact Mass445.25
IUPAC Name5-cyclopropyl-N-[4-(dipropylcarbamoyl)phenyl]-1-(4-methylphenyl)triazole-4-carboxamide
SMILESCCCN(CCC)C(=O)c1ccc(NC(=O)c2nnn(-c3ccc(C)cc3)c2C2CC2)cc1
InChIInChI=1S/C26H31N5O2/c1-4-16-30(17-5-2)26(33)20-10-12-21(13-11-20)27-25(32)23-24(19-8-9-19)31(29-28-23)22-14-6-18(3)7-15-22/h6-7,10-15,19H,4-5,8-9,16-17H2,1-3H3,(H,27,32)
InChIKeySSTDZMHJMKTIDC-UHFFFAOYSA-N
XLogP4.97
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[[4-[[5-cyclopropyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]phenyl]methyl]-N-methylcarbamate
CID 86965087
5-cyclopropyl-1-(4-methylphenyl)-N-[4-(pyridin-3-ylmethoxy)phenyl]triazole-4-carboxamide
CID 86887909
4-[[2-(4-methylanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54813932
N-[2-[benzyl(methyl)amino]propyl]-5-cyclopropyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 86934070
N-(2-cycloheptyloxyethyl)-5-cyclopropyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 86972051
5-cyclopropyl-1-(4-methylphenyl)-N'-pyrimidin-2-yltriazole-4-carbohydrazide
CID 172994889
1-(4-chlorophenyl)-N-[4-(dipropylcarbamoyl)phenyl]-5-methyl-1,2,4-triazole-3-carboxamide
CID 78891410
ethane;4-methyl-N,N-dipropylbenzamide
CID 143600655
4-(cyclopropanecarbonylamino)-N,N-dipropylbenzamide
CID 17196138
5-cyclopropyl-1-(4-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]triazole-4-carboxamide
CID 86874503
N-[(4-bromo-3-fluorophenyl)methyl]-5-cyclopropyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 86874598
5-cyclopropyl-1-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)triazole-4-carboxamide
CID 71881070

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[4-(dipropylcarbamoyl)phenyl]-1-(4-methylphenyl)triazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[4-(dipropylcarbamoyl)phenyl]-1-(4-methylphenyl)triazole-4-carboxamide (CID 86874499) is 5-cyclopropyl-N-[4-(dipropylcarbamoyl)phenyl]-1-(4-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[4-(dipropylcarbamoyl)phenyl]-1-(4-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[4-(dipropylcarbamoyl)phenyl]-1-(4-methylphenyl)triazole-4-carboxamide is CCCN(CCC)C(=O)c1ccc(NC(=O)c2nnn(-c3ccc(C)cc3)c2C2CC2)cc1.
What is the InChIKey of 5-cyclopropyl-N-[4-(dipropylcarbamoyl)phenyl]-1-(4-methylphenyl)triazole-4-carboxamide?
The InChIKey is SSTDZMHJMKTIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2/c1-4-16-30(17-5-2)26(33)20-10-12-21(13-11-20)27-25(32)23-24(19-8-9-19)31(29-28-23)22-14-6-18(3)7-15-22/h6-7,10-15,19H,4-5,8-9,16-17H2,1-3H3,(H,27,32).
What are the key properties of 5-cyclopropyl-N-[4-(dipropylcarbamoyl)phenyl]-1-(4-methylphenyl)triazole-4-carboxamide?
5-cyclopropyl-N-[4-(dipropylcarbamoyl)phenyl]-1-(4-methylphenyl)triazole-4-carboxamide has a molecular weight of 445.57 g/mol, XLogP of 4.97, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[4-(dipropylcarbamoyl)phenyl]-1-(4-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 86874499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).