3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-(2-ethylphenyl)pyrrolidine-1-carboxamide

C18H23N5O — CID 91914758

IUPAC3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-(2-ethylphenyl)pyrrolidine-1-carboxamide
SMILESCCc1ccccc1NC(=O)N1CCC(n2cnnc2C2CC2)C1
InChIInChI=1S/C18H23N5O/c1-2-13-5-3-4-6-16(13)20-18(24)22-10-9-15(11-22)23-12-19-21-17(23)14-7-8-14/h3-6,12,14-15H,2,7-11H2,1H3,(H,20,24)
InChIKeyLUDVOJUMVVBXHH-UHFFFAOYSA-N
MW325.42 g/mol
LogP3.20
Rot. Bonds4

About 3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-(2-ethylphenyl)pyrrolidine-1-carboxamide

3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-(2-ethylphenyl)pyrrolidine-1-carboxamide (PubChem CID 91914758) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-(2-ethylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-(2-ethylphenyl)pyrrolidine-1-carboxamide
PubChem CID91914758
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-(2-ethylphenyl)pyrrolidine-1-carboxamide
SMILESCCc1ccccc1NC(=O)N1CCC(n2cnnc2C2CC2)C1
InChIInChI=1S/C18H23N5O/c1-2-13-5-3-4-6-16(13)20-18(24)22-10-9-15(11-22)23-12-19-21-17(23)14-7-8-14/h3-6,12,14-15H,2,7-11H2,1H3,(H,20,24)
InChIKeyLUDVOJUMVVBXHH-UHFFFAOYSA-N
XLogP3.20
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4-methylphenyl)-3-(3-cyclopropyl-1,2,4-triazol-4-yl)pyrrolidine-1-carboxamide
CID 91914761
3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-(2-phenylethyl)pyrrolidine-1-carboxamide
CID 163339671
3-ethyl-N-(2-ethylphenyl)piperidine-1-carboxamide
CID 86987456
[3-(3-cyclopropyl-1,2,4-triazol-4-yl)pyrrolidin-1-yl]-(3-methylphenyl)methanone
CID 163339005
1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318533
(3S)-1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512559
(1S,6S)-N-[2-(2-amino-2-oxoethyl)phenyl]-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 129422413
N-(2-ethylphenyl)-4-(4-pyridin-2-yltriazol-1-yl)piperidine-1-carboxamide
CID 30921570
N-(2-ethylphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 42760971
1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one
CID 126758367
N-(4-ethylphenyl)-3-(3-propan-2-yl-1,2,4-triazol-4-yl)pyrrolidine-1-carboxamide
CID 163339504
4-(1,3-benzoxazol-2-yl)-N-(2-ethylphenyl)piperidine-1-carboxamide
CID 1429802

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-(2-ethylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-(2-ethylphenyl)pyrrolidine-1-carboxamide (CID 91914758) is 3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-(2-ethylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-(2-ethylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-(2-ethylphenyl)pyrrolidine-1-carboxamide is CCc1ccccc1NC(=O)N1CCC(n2cnnc2C2CC2)C1.
What is the InChIKey of 3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-(2-ethylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is LUDVOJUMVVBXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-2-13-5-3-4-6-16(13)20-18(24)22-10-9-15(11-22)23-12-19-21-17(23)14-7-8-14/h3-6,12,14-15H,2,7-11H2,1H3,(H,20,24).
What are the key properties of 3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-(2-ethylphenyl)pyrrolidine-1-carboxamide?
3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-(2-ethylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-(2-ethylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 91914758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).