N-[4-(dimethylamino)-1,4-diphenylcyclohexyl]-N,1-dimethylpyrazole-3-carboxamide

C26H32N4O — CID 69016300

IUPACN-[4-(dimethylamino)-1,4-diphenylcyclohexyl]-N,1-dimethylpyrazole-3-carboxamide
SMILESCN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C(=O)c2ccn(C)n2)CC1
InChIInChI=1S/C26H32N4O/c1-28(2)25(21-11-7-5-8-12-21)16-18-26(19-17-25,22-13-9-6-10-14-22)30(4)24(31)23-15-20-29(3)27-23/h5-15,20H,16-19H2,1-4H3
InChIKeyIPUHZZJQIGQBOQ-UHFFFAOYSA-N
MW416.57 g/mol
LogP4.42
Rot. Bonds5

About N-[4-(dimethylamino)-1,4-diphenylcyclohexyl]-N,1-dimethylpyrazole-3-carboxamide

N-[4-(dimethylamino)-1,4-diphenylcyclohexyl]-N,1-dimethylpyrazole-3-carboxamide (PubChem CID 69016300) has the molecular formula C26H32N4O and a molecular weight of 416.57 g/mol. Its IUPAC name is N-[4-(dimethylamino)-1,4-diphenylcyclohexyl]-N,1-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-1,4-diphenylcyclohexyl]-N,1-dimethylpyrazole-3-carboxamide
PubChem CID69016300
Molecular FormulaC26H32N4O
Molecular Weight416.57 g/mol
Exact Mass416.26
IUPAC NameN-[4-(dimethylamino)-1,4-diphenylcyclohexyl]-N,1-dimethylpyrazole-3-carboxamide
SMILESCN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C(=O)c2ccn(C)n2)CC1
InChIInChI=1S/C26H32N4O/c1-28(2)25(21-11-7-5-8-12-21)16-18-26(19-17-25,22-13-9-6-10-14-22)30(4)24(31)23-15-20-29(3)27-23/h5-15,20H,16-19H2,1-4H3
InChIKeyIPUHZZJQIGQBOQ-UHFFFAOYSA-N
XLogP4.42
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-1,4-diphenylcyclohexyl]-N,1-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[4-(dimethylamino)-1,4-diphenylcyclohexyl]-N,1-dimethylpyrazole-3-carboxamide (CID 69016300) is N-[4-(dimethylamino)-1,4-diphenylcyclohexyl]-N,1-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)-1,4-diphenylcyclohexyl]-N,1-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)-1,4-diphenylcyclohexyl]-N,1-dimethylpyrazole-3-carboxamide is CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C(=O)c2ccn(C)n2)CC1.
What is the InChIKey of N-[4-(dimethylamino)-1,4-diphenylcyclohexyl]-N,1-dimethylpyrazole-3-carboxamide?
The InChIKey is IPUHZZJQIGQBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O/c1-28(2)25(21-11-7-5-8-12-21)16-18-26(19-17-25,22-13-9-6-10-14-22)30(4)24(31)23-15-20-29(3)27-23/h5-15,20H,16-19H2,1-4H3.
What are the key properties of N-[4-(dimethylamino)-1,4-diphenylcyclohexyl]-N,1-dimethylpyrazole-3-carboxamide?
N-[4-(dimethylamino)-1,4-diphenylcyclohexyl]-N,1-dimethylpyrazole-3-carboxamide has a molecular weight of 416.57 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-1,4-diphenylcyclohexyl]-N,1-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 69016300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).