5-methyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-1H-pyrazole-4-carboxamide

C19H27N5O — CID 71937057

IUPAC5-methyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-1H-pyrazole-4-carboxamide
SMILESCc1cccc(N2CCN(CCCNC(=O)c3cn[nH]c3C)CC2)c1
InChIInChI=1S/C19H27N5O/c1-15-5-3-6-17(13-15)24-11-9-23(10-12-24)8-4-7-20-19(25)18-14-21-22-16(18)2/h3,5-6,13-14H,4,7-12H2,1-2H3,(H,20,25)(H,21,22)
InChIKeyMKLCNRHAJGACTJ-UHFFFAOYSA-N
MW341.46 g/mol
LogP1.97
Rot. Bonds6

About 5-methyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-1H-pyrazole-4-carboxamide

5-methyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-1H-pyrazole-4-carboxamide (PubChem CID 71937057) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 5-methyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-1H-pyrazole-4-carboxamide
PubChem CID71937057
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name5-methyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-1H-pyrazole-4-carboxamide
SMILESCc1cccc(N2CCN(CCCNC(=O)c3cn[nH]c3C)CC2)c1
InChIInChI=1S/C19H27N5O/c1-15-5-3-6-17(13-15)24-11-9-23(10-12-24)8-4-7-20-19(25)18-14-21-22-16(18)2/h3,5-6,13-14H,4,7-12H2,1-2H3,(H,20,25)(H,21,22)
InChIKeyMKLCNRHAJGACTJ-UHFFFAOYSA-N
XLogP1.97
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-methyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-1H-pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-1H-pyrazole-4-carboxamide (CID 71937057) is 5-methyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-1H-pyrazole-4-carboxamide is Cc1cccc(N2CCN(CCCNC(=O)c3cn[nH]c3C)CC2)c1.
What is the InChIKey of 5-methyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-1H-pyrazole-4-carboxamide?
The InChIKey is MKLCNRHAJGACTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-15-5-3-6-17(13-15)24-11-9-23(10-12-24)8-4-7-20-19(25)18-14-21-22-16(18)2/h3,5-6,13-14H,4,7-12H2,1-2H3,(H,20,25)(H,21,22).
What are the key properties of 5-methyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-1H-pyrazole-4-carboxamide?
5-methyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-1H-pyrazole-4-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 71937057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).