N-[(2-cyclohexylpyrazol-3-yl)methyl]-4-(4-cyclopropylpiperazin-1-yl)aniline

C23H33N5 — CID 166374920

IUPACN-[(2-cyclohexylpyrazol-3-yl)methyl]-4-(4-cyclopropylpiperazin-1-yl)aniline
SMILESc1cc(CNc2ccc(N3CCN(C4CC4)CC3)cc2)n(C2CCCCC2)n1
InChIInChI=1S/C23H33N5/c1-2-4-22(5-3-1)28-23(12-13-25-28)18-24-19-6-8-20(9-7-19)26-14-16-27(17-15-26)21-10-11-21/h6-9,12-13,21-22,24H,1-5,10-11,14-18H2
InChIKeyDEHPTMIXTUIREF-UHFFFAOYSA-N
MW379.55 g/mol
LogP4.28
Rot. Bonds6

About N-[(2-cyclohexylpyrazol-3-yl)methyl]-4-(4-cyclopropylpiperazin-1-yl)aniline

N-[(2-cyclohexylpyrazol-3-yl)methyl]-4-(4-cyclopropylpiperazin-1-yl)aniline (PubChem CID 166374920) has the molecular formula C23H33N5 and a molecular weight of 379.55 g/mol. Its IUPAC name is N-[(2-cyclohexylpyrazol-3-yl)methyl]-4-(4-cyclopropylpiperazin-1-yl)aniline.

Molecular Properties

Compound NameN-[(2-cyclohexylpyrazol-3-yl)methyl]-4-(4-cyclopropylpiperazin-1-yl)aniline
PubChem CID166374920
Molecular FormulaC23H33N5
Molecular Weight379.55 g/mol
Exact Mass379.27
IUPAC NameN-[(2-cyclohexylpyrazol-3-yl)methyl]-4-(4-cyclopropylpiperazin-1-yl)aniline
SMILESc1cc(CNc2ccc(N3CCN(C4CC4)CC3)cc2)n(C2CCCCC2)n1
InChIInChI=1S/C23H33N5/c1-2-4-22(5-3-1)28-23(12-13-25-28)18-24-19-6-8-20(9-7-19)26-14-16-27(17-15-26)21-10-11-21/h6-9,12-13,21-22,24H,1-5,10-11,14-18H2
InChIKeyDEHPTMIXTUIREF-UHFFFAOYSA-N
XLogP4.28
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[(2-cyclopentylpyrazol-3-yl)methyl]-4-methylaniline
CID 19626139
N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]formamide
CID 58958425
1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-N-methylmethanamine
CID 62368802
1-cyclohexyl-4-(4-methylphenyl)piperazine
CID 20655127
5-(chloromethyl)-1-cyclohexylpyrazole
CID 138987728
1-cycloheptyl-4-phenylpiperazine
CID 2846720
N-[(2-cyclobutylpyrazol-3-yl)methyl]propan-2-amine
CID 165443973
N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]pyridine-4-carboxamide
CID 112502757
N-(cyclohexylmethyl)-4-piperidin-1-ylaniline
CID 43228030
4-(4-cyclohexylpiperazin-1-yl)benzohydrazide
CID 20655195
1-cyclohexyl-4-[4-(dimethylsulfamoylamino)phenyl]piperazine
CID 112502794
N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-methylpropanamide
CID 112502772

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclohexylpyrazol-3-yl)methyl]-4-(4-cyclopropylpiperazin-1-yl)aniline?
The IUPAC name of N-[(2-cyclohexylpyrazol-3-yl)methyl]-4-(4-cyclopropylpiperazin-1-yl)aniline (CID 166374920) is N-[(2-cyclohexylpyrazol-3-yl)methyl]-4-(4-cyclopropylpiperazin-1-yl)aniline.
What is the SMILES notation for N-[(2-cyclohexylpyrazol-3-yl)methyl]-4-(4-cyclopropylpiperazin-1-yl)aniline?
The canonical SMILES for N-[(2-cyclohexylpyrazol-3-yl)methyl]-4-(4-cyclopropylpiperazin-1-yl)aniline is c1cc(CNc2ccc(N3CCN(C4CC4)CC3)cc2)n(C2CCCCC2)n1.
What is the InChIKey of N-[(2-cyclohexylpyrazol-3-yl)methyl]-4-(4-cyclopropylpiperazin-1-yl)aniline?
The InChIKey is DEHPTMIXTUIREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5/c1-2-4-22(5-3-1)28-23(12-13-25-28)18-24-19-6-8-20(9-7-19)26-14-16-27(17-15-26)21-10-11-21/h6-9,12-13,21-22,24H,1-5,10-11,14-18H2.
What are the key properties of N-[(2-cyclohexylpyrazol-3-yl)methyl]-4-(4-cyclopropylpiperazin-1-yl)aniline?
N-[(2-cyclohexylpyrazol-3-yl)methyl]-4-(4-cyclopropylpiperazin-1-yl)aniline has a molecular weight of 379.55 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclohexylpyrazol-3-yl)methyl]-4-(4-cyclopropylpiperazin-1-yl)aniline is sourced from PubChem (CID 166374920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).