N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2H-triazole-4-carboxamide

C15H19N5O — CID 112732701

IUPACN-(2-phenyl-2-pyrrolidin-1-ylethyl)-2H-triazole-4-carboxamide
SMILESO=C(NCC(c1ccccc1)N1CCCC1)c1cn[nH]n1
InChIInChI=1S/C15H19N5O/c21-15(13-10-17-19-18-13)16-11-14(20-8-4-5-9-20)12-6-2-1-3-7-12/h1-3,6-7,10,14H,4-5,8-9,11H2,(H,16,21)(H,17,18,19)
InChIKeyPTCLWKFIHPZKKQ-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.37
Rot. Bonds5

About N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2H-triazole-4-carboxamide

N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2H-triazole-4-carboxamide (PubChem CID 112732701) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-phenyl-2-pyrrolidin-1-ylethyl)-2H-triazole-4-carboxamide
PubChem CID112732701
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC NameN-(2-phenyl-2-pyrrolidin-1-ylethyl)-2H-triazole-4-carboxamide
SMILESO=C(NCC(c1ccccc1)N1CCCC1)c1cn[nH]n1
InChIInChI=1S/C15H19N5O/c21-15(13-10-17-19-18-13)16-11-14(20-8-4-5-9-20)12-6-2-1-3-7-12/h1-3,6-7,10,14H,4-5,8-9,11H2,(H,16,21)(H,17,18,19)
InChIKeyPTCLWKFIHPZKKQ-UHFFFAOYSA-N
XLogP1.37
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide
CID 167898904
2,6-difluoro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 51931088
4-chloro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1H-pyrrole-2-carboxamide
CID 126448553
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 87008768
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35180369
N-(2-oxo-2-piperidin-1-ylethyl)-2H-triazole-4-carboxamide
CID 112686233
2,2-difluoro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 103514779
N-[2-(azepan-1-yl)-2-phenylethyl]-6-oxo-1H-pyridine-2-carboxamide
CID 131895345
N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-2-(ethylamino)pyrimidine-5-carboxamide
CID 97148333
N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-chloropyridine-4-carboxamide
CID 125168048
N-[2-(azepan-1-yl)-2-phenylethyl]-3-methylpyridine-4-carboxamide
CID 131940299
3-fluoro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]pyridine-4-carboxamide
CID 99973037

Frequently Asked Questions

What is the IUPAC name of N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2H-triazole-4-carboxamide?
The IUPAC name of N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2H-triazole-4-carboxamide (CID 112732701) is N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2H-triazole-4-carboxamide is O=C(NCC(c1ccccc1)N1CCCC1)c1cn[nH]n1.
What is the InChIKey of N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2H-triazole-4-carboxamide?
The InChIKey is PTCLWKFIHPZKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c21-15(13-10-17-19-18-13)16-11-14(20-8-4-5-9-20)12-6-2-1-3-7-12/h1-3,6-7,10,14H,4-5,8-9,11H2,(H,16,21)(H,17,18,19).
What are the key properties of N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2H-triazole-4-carboxamide?
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2H-triazole-4-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 112732701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).