N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-5-methyl-2-phenylpyrazole-3-carboxamide

C24H35N5O — CID 5308104

IUPACN-[3-(4-cyclohexylpiperazin-1-yl)propyl]-5-methyl-2-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCCCN2CCN(C3CCCCC3)CC2)n(-c2ccccc2)n1
InChIInChI=1S/C24H35N5O/c1-20-19-23(29(26-20)22-11-6-3-7-12-22)24(30)25-13-8-14-27-15-17-28(18-16-27)21-9-4-2-5-10-21/h3,6-7,11-12,19,21H,2,4-5,8-10,13-18H2,1H3,(H,25,30)
InChIKeyUMHYJXNHKNDKAI-UHFFFAOYSA-N
MW409.58 g/mol
LogP3.25
Rot. Bonds7

About N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-5-methyl-2-phenylpyrazole-3-carboxamide

N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-5-methyl-2-phenylpyrazole-3-carboxamide (PubChem CID 5308104) has the molecular formula C24H35N5O and a molecular weight of 409.58 g/mol. Its IUPAC name is N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-5-methyl-2-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-cyclohexylpiperazin-1-yl)propyl]-5-methyl-2-phenylpyrazole-3-carboxamide
PubChem CID5308104
Molecular FormulaC24H35N5O
Molecular Weight409.58 g/mol
Exact Mass409.28
IUPAC NameN-[3-(4-cyclohexylpiperazin-1-yl)propyl]-5-methyl-2-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCCCN2CCN(C3CCCCC3)CC2)n(-c2ccccc2)n1
InChIInChI=1S/C24H35N5O/c1-20-19-23(29(26-20)22-11-6-3-7-12-22)24(30)25-13-8-14-27-15-17-28(18-16-27)21-9-4-2-5-10-21/h3,6-7,11-12,19,21H,2,4-5,8-10,13-18H2,1H3,(H,25,30)
InChIKeyUMHYJXNHKNDKAI-UHFFFAOYSA-N
XLogP3.25
TPSA53.40 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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-5-methyl-2-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-5-methyl-2-phenylpyrazole-3-carboxamide (CID 5308104) is N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-5-methyl-2-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-5-methyl-2-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-5-methyl-2-phenylpyrazole-3-carboxamide is Cc1cc(C(=O)NCCCN2CCN(C3CCCCC3)CC2)n(-c2ccccc2)n1.
What is the InChIKey of N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-5-methyl-2-phenylpyrazole-3-carboxamide?
The InChIKey is UMHYJXNHKNDKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O/c1-20-19-23(29(26-20)22-11-6-3-7-12-22)24(30)25-13-8-14-27-15-17-28(18-16-27)21-9-4-2-5-10-21/h3,6-7,11-12,19,21H,2,4-5,8-10,13-18H2,1H3,(H,25,30).
What are the key properties of N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-5-methyl-2-phenylpyrazole-3-carboxamide?
N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-5-methyl-2-phenylpyrazole-3-carboxamide has a molecular weight of 409.58 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-5-methyl-2-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 5308104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).