N-cyclopropyl-1-[4-(cyclopropylcarbamoyl)phenyl]-5-propyltriazole-4-carboxamide

C19H23N5O2 — CID 68513644

IUPACN-cyclopropyl-1-[4-(cyclopropylcarbamoyl)phenyl]-5-propyltriazole-4-carboxamide
SMILESCCCc1c(C(=O)NC2CC2)nnn1-c1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C19H23N5O2/c1-2-3-16-17(19(26)21-14-8-9-14)22-23-24(16)15-10-4-12(5-11-15)18(25)20-13-6-7-13/h4-5,10-11,13-14H,2-3,6-9H2,1H3,(H,20,25)(H,21,26)
InChIKeyZKYXOXXAARFCQA-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.00
Rot. Bonds7

About N-cyclopropyl-1-[4-(cyclopropylcarbamoyl)phenyl]-5-propyltriazole-4-carboxamide

N-cyclopropyl-1-[4-(cyclopropylcarbamoyl)phenyl]-5-propyltriazole-4-carboxamide (PubChem CID 68513644) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-cyclopropyl-1-[4-(cyclopropylcarbamoyl)phenyl]-5-propyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[4-(cyclopropylcarbamoyl)phenyl]-5-propyltriazole-4-carboxamide
PubChem CID68513644
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN-cyclopropyl-1-[4-(cyclopropylcarbamoyl)phenyl]-5-propyltriazole-4-carboxamide
SMILESCCCc1c(C(=O)NC2CC2)nnn1-c1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C19H23N5O2/c1-2-3-16-17(19(26)21-14-8-9-14)22-23-24(16)15-10-4-12(5-11-15)18(25)20-13-6-7-13/h4-5,10-11,13-14H,2-3,6-9H2,1H3,(H,20,25)(H,21,26)
InChIKeyZKYXOXXAARFCQA-UHFFFAOYSA-N
XLogP2.00
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-1-[4-(3-phenylpropylcarbamoyl)phenyl]-5-propyltriazole-4-carboxamide
CID 68519299
N-cyclopropyl-5-propyl-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]triazole-4-carboxamide
CID 86629791
N-(4-aminocyclohexyl)-1-(3-chlorophenyl)-5-propyltriazole-4-carboxamide;hydrochloride
CID 119476108
N-cyclopropyl-1-[4-(ethylcarbamoyl)-2-propoxyphenyl]-5-propyltriazole-4-carboxamide
CID 68516322
1-(4-tert-butylphenyl)-N-methylsulfonyl-5-propyltriazole-4-carboxamide
CID 146154861
N-cyclohexyl-1-[4-(difluoromethoxy)phenyl]-5-ethyltriazole-4-carboxamide
CID 16654299
2-[[1-(4-tert-butylphenyl)-5-propyltriazole-4-carbonyl]amino]acetic acid
CID 119350150
1-(3-chlorophenyl)-N-piperidin-3-yl-5-propyltriazole-4-carboxamide
CID 119426032
N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-[[2-(iodomethyl)-3-(trifluoromethyl)phenoxy]methyl]triazole-4-carboxamide
CID 89311644
4-[[1-(4-tert-butylphenyl)-5-propyltriazole-4-carbonyl]amino]butanoic acid
CID 119352643
N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-[2-(1-methylpyrazol-4-yl)ethenyl]triazole-4-carboxamide
CID 68515179
5-ethyl-N-piperidin-4-yl-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide
CID 119390482

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[4-(cyclopropylcarbamoyl)phenyl]-5-propyltriazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-[4-(cyclopropylcarbamoyl)phenyl]-5-propyltriazole-4-carboxamide (CID 68513644) is N-cyclopropyl-1-[4-(cyclopropylcarbamoyl)phenyl]-5-propyltriazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[4-(cyclopropylcarbamoyl)phenyl]-5-propyltriazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[4-(cyclopropylcarbamoyl)phenyl]-5-propyltriazole-4-carboxamide is CCCc1c(C(=O)NC2CC2)nnn1-c1ccc(C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-1-[4-(cyclopropylcarbamoyl)phenyl]-5-propyltriazole-4-carboxamide?
The InChIKey is ZKYXOXXAARFCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-2-3-16-17(19(26)21-14-8-9-14)22-23-24(16)15-10-4-12(5-11-15)18(25)20-13-6-7-13/h4-5,10-11,13-14H,2-3,6-9H2,1H3,(H,20,25)(H,21,26).
What are the key properties of N-cyclopropyl-1-[4-(cyclopropylcarbamoyl)phenyl]-5-propyltriazole-4-carboxamide?
N-cyclopropyl-1-[4-(cyclopropylcarbamoyl)phenyl]-5-propyltriazole-4-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[4-(cyclopropylcarbamoyl)phenyl]-5-propyltriazole-4-carboxamide is sourced from PubChem (CID 68513644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).