3-[4-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperazin-1-yl]propanamide

C24H35N5O — CID 30676225

IUPAC3-[4-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperazin-1-yl]propanamide
SMILESCn1cc(CN2CCN(CCC(N)=O)CC2)c(-c2ccc(C3CCCCC3)cc2)n1
InChIInChI=1S/C24H35N5O/c1-27-17-22(18-29-15-13-28(14-16-29)12-11-23(25)30)24(26-27)21-9-7-20(8-10-21)19-5-3-2-4-6-19/h7-10,17,19H,2-6,11-16,18H2,1H3,(H2,25,30)
InChIKeyUFGFPMLKPTYSJI-UHFFFAOYSA-N
MW409.58 g/mol
LogP3.13
Rot. Bonds7

About 3-[4-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperazin-1-yl]propanamide

3-[4-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperazin-1-yl]propanamide (PubChem CID 30676225) has the molecular formula C24H35N5O and a molecular weight of 409.58 g/mol. Its IUPAC name is 3-[4-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name3-[4-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperazin-1-yl]propanamide
PubChem CID30676225
Molecular FormulaC24H35N5O
Molecular Weight409.58 g/mol
Exact Mass409.28
IUPAC Name3-[4-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperazin-1-yl]propanamide
SMILESCn1cc(CN2CCN(CCC(N)=O)CC2)c(-c2ccc(C3CCCCC3)cc2)n1
InChIInChI=1S/C24H35N5O/c1-27-17-22(18-29-15-13-28(14-16-29)12-11-23(25)30)24(26-27)21-9-7-20(8-10-21)19-5-3-2-4-6-19/h7-10,17,19H,2-6,11-16,18H2,1H3,(H2,25,30)
InChIKeyUFGFPMLKPTYSJI-UHFFFAOYSA-N
XLogP3.13
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.58
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperazin-1-yl]propanamide?
The IUPAC name of 3-[4-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperazin-1-yl]propanamide (CID 30676225) is 3-[4-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperazin-1-yl]propanamide.
What is the SMILES notation for 3-[4-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperazin-1-yl]propanamide?
The canonical SMILES for 3-[4-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperazin-1-yl]propanamide is Cn1cc(CN2CCN(CCC(N)=O)CC2)c(-c2ccc(C3CCCCC3)cc2)n1.
What is the InChIKey of 3-[4-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperazin-1-yl]propanamide?
The InChIKey is UFGFPMLKPTYSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O/c1-27-17-22(18-29-15-13-28(14-16-29)12-11-23(25)30)24(26-27)21-9-7-20(8-10-21)19-5-3-2-4-6-19/h7-10,17,19H,2-6,11-16,18H2,1H3,(H2,25,30).
What are the key properties of 3-[4-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperazin-1-yl]propanamide?
3-[4-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperazin-1-yl]propanamide has a molecular weight of 409.58 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 30676225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).