N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide

C16H21N7O — CID 50962426

IUPACN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
SMILESCn1ccn2ncc(C(=O)NCc3nncn3C3CCCCC3)c12
InChIInChI=1S/C16H21N7O/c1-21-7-8-23-16(21)13(9-19-23)15(24)17-10-14-20-18-11-22(14)12-5-3-2-4-6-12/h7-9,11-12H,2-6,10H2,1H3,(H,17,24)
InChIKeyXXMXNQQOYHDOGO-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.70
Rot. Bonds4

About N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide

N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide (PubChem CID 50962426) has the molecular formula C16H21N7O and a molecular weight of 327.39 g/mol. Its IUPAC name is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide.

Molecular Properties

Compound NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
PubChem CID50962426
Molecular FormulaC16H21N7O
Molecular Weight327.39 g/mol
Exact Mass327.18
IUPAC NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
SMILESCn1ccn2ncc(C(=O)NCc3nncn3C3CCCCC3)c12
InChIInChI=1S/C16H21N7O/c1-21-7-8-23-16(21)13(9-19-23)15(24)17-10-14-20-18-11-22(14)12-5-3-2-4-6-12/h7-9,11-12H,2-6,10H2,1H3,(H,17,24)
InChIKeyXXMXNQQOYHDOGO-UHFFFAOYSA-N
XLogP1.70
TPSA82.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
The IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide (CID 50962426) is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide.
What is the SMILES notation for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
The canonical SMILES for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide is Cn1ccn2ncc(C(=O)NCc3nncn3C3CCCCC3)c12.
What is the InChIKey of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
The InChIKey is XXMXNQQOYHDOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O/c1-21-7-8-23-16(21)13(9-19-23)15(24)17-10-14-20-18-11-22(14)12-5-3-2-4-6-12/h7-9,11-12H,2-6,10H2,1H3,(H,17,24).
What are the key properties of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide is sourced from PubChem (CID 50962426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).