1-cycloheptyl-N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]triazole-4-carboxamide

C21H30N6O — CID 74812515

IUPAC1-cycloheptyl-N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]triazole-4-carboxamide
SMILESCN(CC1CC(c2ccccc2)NN1)C(=O)c1cn(C2CCCCCC2)nn1
InChIInChI=1S/C21H30N6O/c1-26(14-17-13-19(23-22-17)16-9-5-4-6-10-16)21(28)20-15-27(25-24-20)18-11-7-2-3-8-12-18/h4-6,9-10,15,17-19,22-23H,2-3,7-8,11-14H2,1H3
InChIKeyHSNQMMLDNRADSF-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.85
Rot. Bonds5

About 1-cycloheptyl-N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]triazole-4-carboxamide

1-cycloheptyl-N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]triazole-4-carboxamide (PubChem CID 74812515) has the molecular formula C21H30N6O and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-cycloheptyl-N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-cycloheptyl-N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]triazole-4-carboxamide
PubChem CID74812515
Molecular FormulaC21H30N6O
Molecular Weight382.51 g/mol
Exact Mass382.25
IUPAC Name1-cycloheptyl-N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]triazole-4-carboxamide
SMILESCN(CC1CC(c2ccccc2)NN1)C(=O)c1cn(C2CCCCCC2)nn1
InChIInChI=1S/C21H30N6O/c1-26(14-17-13-19(23-22-17)16-9-5-4-6-10-16)21(28)20-15-27(25-24-20)18-11-7-2-3-8-12-18/h4-6,9-10,15,17-19,22-23H,2-3,7-8,11-14H2,1H3
InChIKeyHSNQMMLDNRADSF-UHFFFAOYSA-N
XLogP2.85
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide
CID 133266471
1-(azetidin-3-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]triazole-4-carboxamide
CID 79327138
4-[methyl-(1-piperidin-4-yltriazole-4-carbonyl)amino]butanoic acid
CID 63284811
N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 134081034
N-cyclohexyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 63282846
N-cyclooctyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119763852
N-butyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672309
N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-2-thiophen-2-ylpyrimidine-5-carboxamide
CID 133267878
1-cyclohexyl-N,N-bis(prop-2-enyl)triazole-4-carboxamide
CID 42194943
N-butyl-N-(1-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119797616
N-[3-[cyclohexyl(methyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119851112
N-[(2-methoxyphenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119681238

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]triazole-4-carboxamide?
The IUPAC name of 1-cycloheptyl-N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]triazole-4-carboxamide (CID 74812515) is 1-cycloheptyl-N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-cycloheptyl-N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]triazole-4-carboxamide?
The canonical SMILES for 1-cycloheptyl-N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]triazole-4-carboxamide is CN(CC1CC(c2ccccc2)NN1)C(=O)c1cn(C2CCCCCC2)nn1.
What is the InChIKey of 1-cycloheptyl-N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]triazole-4-carboxamide?
The InChIKey is HSNQMMLDNRADSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O/c1-26(14-17-13-19(23-22-17)16-9-5-4-6-10-16)21(28)20-15-27(25-24-20)18-11-7-2-3-8-12-18/h4-6,9-10,15,17-19,22-23H,2-3,7-8,11-14H2,1H3.
What are the key properties of 1-cycloheptyl-N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]triazole-4-carboxamide?
1-cycloheptyl-N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]triazole-4-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 74812515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).