1-cycloheptyl-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]triazole-4-carboxamide

C23H33N5O — CID 45210939

IUPAC1-cycloheptyl-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]triazole-4-carboxamide
SMILESCc1ccccc1C1CCN(CCNC(=O)c2cn(C3CCCCCC3)nn2)C1
InChIInChI=1S/C23H33N5O/c1-18-8-6-7-11-21(18)19-12-14-27(16-19)15-13-24-23(29)22-17-28(26-25-22)20-9-4-2-3-5-10-20/h6-8,11,17,19-20H,2-5,9-10,12-16H2,1H3,(H,24,29)
InChIKeyXCSOWTMKWSOONZ-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.70
Rot. Bonds6

About 1-cycloheptyl-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]triazole-4-carboxamide

1-cycloheptyl-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]triazole-4-carboxamide (PubChem CID 45210939) has the molecular formula C23H33N5O and a molecular weight of 395.55 g/mol. Its IUPAC name is 1-cycloheptyl-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-cycloheptyl-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]triazole-4-carboxamide
PubChem CID45210939
Molecular FormulaC23H33N5O
Molecular Weight395.55 g/mol
Exact Mass395.27
IUPAC Name1-cycloheptyl-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]triazole-4-carboxamide
SMILESCc1ccccc1C1CCN(CCNC(=O)c2cn(C3CCCCCC3)nn2)C1
InChIInChI=1S/C23H33N5O/c1-18-8-6-7-11-21(18)19-12-14-27(16-19)15-13-24-23(29)22-17-28(26-25-22)20-9-4-2-3-5-10-20/h6-8,11,17,19-20H,2-5,9-10,12-16H2,1H3,(H,24,29)
InChIKeyXCSOWTMKWSOONZ-UHFFFAOYSA-N
XLogP3.70
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidine-5-carboxamide
CID 126450185
N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 70745244
2-(2-hydroxyethyl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrazole-3-carboxamide
CID 126437845
3-methoxy-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzamide
CID 124730324
2-(ethylamino)-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidine-5-carboxamide
CID 72841954
2-(ethylamino)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidine-5-carboxamide
CID 97138436
N-[2-[(3S)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 124757330
5-acetyl-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]thiophene-3-carboxamide
CID 72907620
N-[2-[(3S)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 97116888
2-(2-methoxyphenyl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]acetamide
CID 124749520
N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-2-pyridin-2-ylacetamide
CID 91841060
2-(5-aminotetrazol-1-yl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]acetamide
CID 124749626

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]triazole-4-carboxamide?
The IUPAC name of 1-cycloheptyl-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]triazole-4-carboxamide (CID 45210939) is 1-cycloheptyl-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]triazole-4-carboxamide.
What is the SMILES notation for 1-cycloheptyl-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]triazole-4-carboxamide?
The canonical SMILES for 1-cycloheptyl-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]triazole-4-carboxamide is Cc1ccccc1C1CCN(CCNC(=O)c2cn(C3CCCCCC3)nn2)C1.
What is the InChIKey of 1-cycloheptyl-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]triazole-4-carboxamide?
The InChIKey is XCSOWTMKWSOONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O/c1-18-8-6-7-11-21(18)19-12-14-27(16-19)15-13-24-23(29)22-17-28(26-25-22)20-9-4-2-3-5-10-20/h6-8,11,17,19-20H,2-5,9-10,12-16H2,1H3,(H,24,29).
What are the key properties of 1-cycloheptyl-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]triazole-4-carboxamide?
1-cycloheptyl-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]triazole-4-carboxamide has a molecular weight of 395.55 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]triazole-4-carboxamide is sourced from PubChem (CID 45210939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).