N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine

C24H31N5 — CID 119109290

IUPACN-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
SMILESCN1CCN(CCCNCc2cn(-c3ccccc3)nc2-c2ccccc2)CC1
InChIInChI=1S/C24H31N5/c1-27-15-17-28(18-16-27)14-8-13-25-19-22-20-29(23-11-6-3-7-12-23)26-24(22)21-9-4-2-5-10-21/h2-7,9-12,20,25H,8,13-19H2,1H3
InChIKeyWMBGDJPPKMJJDC-UHFFFAOYSA-N
MW389.55 g/mol
LogP3.27
Rot. Bonds8

About N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine

N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine (PubChem CID 119109290) has the molecular formula C24H31N5 and a molecular weight of 389.55 g/mol. Its IUPAC name is N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
PubChem CID119109290
Molecular FormulaC24H31N5
Molecular Weight389.55 g/mol
Exact Mass389.26
IUPAC NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
SMILESCN1CCN(CCCNCc2cn(-c3ccccc3)nc2-c2ccccc2)CC1
InChIInChI=1S/C24H31N5/c1-27-15-17-28(18-16-27)14-8-13-25-19-22-20-29(23-11-6-3-7-12-23)26-24(22)21-9-4-2-5-10-21/h2-7,9-12,20,25H,8,13-19H2,1H3
InChIKeyWMBGDJPPKMJJDC-UHFFFAOYSA-N
XLogP3.27
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.55
LogP ≤ 53.27
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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Related Compounds

N-[3-(4-methylpiperazin-1-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide
CID 60606127
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]ethanamine
CID 119123222
N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 51110159
3-(1,3-diphenylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)propanamide
CID 46295921
2-[[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methylamino]ethanol
CID 71688046
(3R)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-methylpiperidin-3-amine
CID 96998820
N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1-(1-propylpiperidin-4-yl)methanamine
CID 119122665
3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]prop-2-enamide
CID 72684598
1-butyl-3-[(1,3-diphenylpyrazol-4-yl)methyl]thiourea
CID 19325003
[1-[3-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methylamino]propyl]piperidin-2-yl]methanol
CID 56852816
2-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]ethanol
CID 17445531
N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-2-phenylethanamine
CID 4792477

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine?
The IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine (CID 119109290) is N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine is CN1CCN(CCCNCc2cn(-c3ccccc3)nc2-c2ccccc2)CC1.
What is the InChIKey of N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine?
The InChIKey is WMBGDJPPKMJJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5/c1-27-15-17-28(18-16-27)14-8-13-25-19-22-20-29(23-11-6-3-7-12-23)26-24(22)21-9-4-2-5-10-21/h2-7,9-12,20,25H,8,13-19H2,1H3.
What are the key properties of N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine?
N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine has a molecular weight of 389.55 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 119109290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).