N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)benzamide

C21H26N6O — CID 169414310

IUPACN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)benzamide
SMILESCCn1cc(-c2cccc(C(=O)NCc3nncn3C3CCCCC3)c2)cn1
InChIInChI=1S/C21H26N6O/c1-2-26-14-18(12-24-26)16-7-6-8-17(11-16)21(28)22-13-20-25-23-15-27(20)19-9-4-3-5-10-19/h6-8,11-12,14-15,19H,2-5,9-10,13H2,1H3,(H,22,28)
InChIKeyDIXLKGXLOKDSGN-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.60
Rot. Bonds6

About N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)benzamide

N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)benzamide (PubChem CID 169414310) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)benzamide
PubChem CID169414310
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)benzamide
SMILESCCn1cc(-c2cccc(C(=O)NCc3nncn3C3CCCCC3)c2)cn1
InChIInChI=1S/C21H26N6O/c1-2-26-14-18(12-24-26)16-7-6-8-17(11-16)21(28)22-13-20-25-23-15-27(20)19-9-4-3-5-10-19/h6-8,11-12,14-15,19H,2-5,9-10,13H2,1H3,(H,22,28)
InChIKeyDIXLKGXLOKDSGN-UHFFFAOYSA-N
XLogP3.60
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-[(3S)-piperidin-3-yl]benzamide
CID 97193467
3-(1-ethylpyrazol-4-yl)-N-[(3-propan-2-yloxyphenyl)methyl]benzamide
CID 118785042
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]tetrazolo[1,5-a]pyridine-6-carboxamide
CID 131951388
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-sulfamoylbenzamide
CID 77092303
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 90650095
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridine-6-carboxamide
CID 176505585
N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 56560855
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-methoxyquinoline-2-carboxamide
CID 131922619
[3-(1-ethylpyrazol-4-yl)phenyl]-[(2R)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 126425029
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 70784422
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylbutanamide
CID 135117050
N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methylamino]benzamide
CID 167304675

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)benzamide?
The IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)benzamide (CID 169414310) is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)benzamide.
What is the SMILES notation for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)benzamide?
The canonical SMILES for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)benzamide is CCn1cc(-c2cccc(C(=O)NCc3nncn3C3CCCCC3)c2)cn1.
What is the InChIKey of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)benzamide?
The InChIKey is DIXLKGXLOKDSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-2-26-14-18(12-24-26)16-7-6-8-17(11-16)21(28)22-13-20-25-23-15-27(20)19-9-4-3-5-10-19/h6-8,11-12,14-15,19H,2-5,9-10,13H2,1H3,(H,22,28).
What are the key properties of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)benzamide?
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)benzamide has a molecular weight of 378.48 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)benzamide is sourced from PubChem (CID 169414310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).