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

C18H25N5O — CID 163339504

IUPACN-(4-ethylphenyl)-3-(3-propan-2-yl-1,2,4-triazol-4-yl)pyrrolidine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CCC(n3cnnc3C(C)C)C2)cc1
InChIInChI=1S/C18H25N5O/c1-4-14-5-7-15(8-6-14)20-18(24)22-10-9-16(11-22)23-12-19-21-17(23)13(2)3/h5-8,12-13,16H,4,9-11H2,1-3H3,(H,20,24)
InChIKeySFWBDFVIXKOIMT-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.44
Rot. Bonds4

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

N-(4-ethylphenyl)-3-(3-propan-2-yl-1,2,4-triazol-4-yl)pyrrolidine-1-carboxamide (PubChem CID 163339504) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N-(4-ethylphenyl)-3-(3-propan-2-yl-1,2,4-triazol-4-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-3-(3-propan-2-yl-1,2,4-triazol-4-yl)pyrrolidine-1-carboxamide
PubChem CID163339504
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN-(4-ethylphenyl)-3-(3-propan-2-yl-1,2,4-triazol-4-yl)pyrrolidine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CCC(n3cnnc3C(C)C)C2)cc1
InChIInChI=1S/C18H25N5O/c1-4-14-5-7-15(8-6-14)20-18(24)22-10-9-16(11-22)23-12-19-21-17(23)13(2)3/h5-8,12-13,16H,4,9-11H2,1-3H3,(H,20,24)
InChIKeySFWBDFVIXKOIMT-UHFFFAOYSA-N
XLogP3.44
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide
CID 5154545
isoquinolin-1-yl-[3-(3-propan-2-yl-1,2,4-triazol-4-yl)pyrrolidin-1-yl]methanone
CID 163338880
(3R)-3-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(4-ethylphenyl)pyrrolidine-1-carboxamide
CID 95101218
3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-(2-ethylphenyl)pyrrolidine-1-carboxamide
CID 91914758
4-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-ethylphenyl)piperidine-1-carboxamide
CID 50828271
N-(4-ethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 122331982
2-[1-[(4-ethylphenyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62689955
N-(4-ethylphenyl)-4-(propylsulfonylamino)piperidine-1-carboxamide
CID 47032203
N-(4-ethylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334280
N-(4-ethylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
CID 50845437
(3R)-3-hydroxy-N-(4-propan-2-ylphenyl)pyrrolidine-1-carboxamide
CID 111430995
1-[(4-ethylphenyl)carbamothioyl]piperidine-4-carboxamide
CID 8627240

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-3-(3-propan-2-yl-1,2,4-triazol-4-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-3-(3-propan-2-yl-1,2,4-triazol-4-yl)pyrrolidine-1-carboxamide (CID 163339504) is N-(4-ethylphenyl)-3-(3-propan-2-yl-1,2,4-triazol-4-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-3-(3-propan-2-yl-1,2,4-triazol-4-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-3-(3-propan-2-yl-1,2,4-triazol-4-yl)pyrrolidine-1-carboxamide is CCc1ccc(NC(=O)N2CCC(n3cnnc3C(C)C)C2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-3-(3-propan-2-yl-1,2,4-triazol-4-yl)pyrrolidine-1-carboxamide?
The InChIKey is SFWBDFVIXKOIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-4-14-5-7-15(8-6-14)20-18(24)22-10-9-16(11-22)23-12-19-21-17(23)13(2)3/h5-8,12-13,16H,4,9-11H2,1-3H3,(H,20,24).
What are the key properties of N-(4-ethylphenyl)-3-(3-propan-2-yl-1,2,4-triazol-4-yl)pyrrolidine-1-carboxamide?
N-(4-ethylphenyl)-3-(3-propan-2-yl-1,2,4-triazol-4-yl)pyrrolidine-1-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-3-(3-propan-2-yl-1,2,4-triazol-4-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 163339504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).