[3,5-dimethyl-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-4-yl]methanamine

C17H25N5 — CID 84760283

IUPAC[3,5-dimethyl-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-4-yl]methanamine
SMILESCc1nn(-c2ccc(N3CCN(C)CC3)cc2)c(C)c1CN
InChIInChI=1S/C17H25N5/c1-13-17(12-18)14(2)22(19-13)16-6-4-15(5-7-16)21-10-8-20(3)9-11-21/h4-7H,8-12,18H2,1-3H3
InChIKeyJWHDLJHWPZPHGB-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.70
Rot. Bonds3

About [3,5-dimethyl-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-4-yl]methanamine

[3,5-dimethyl-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-4-yl]methanamine (PubChem CID 84760283) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is [3,5-dimethyl-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[3,5-dimethyl-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-4-yl]methanamine
PubChem CID84760283
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name[3,5-dimethyl-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-4-yl]methanamine
SMILESCc1nn(-c2ccc(N3CCN(C)CC3)cc2)c(C)c1CN
InChIInChI=1S/C17H25N5/c1-13-17(12-18)14(2)22(19-13)16-6-4-15(5-7-16)21-10-8-20(3)9-11-21/h4-7H,8-12,18H2,1-3H3
InChIKeyJWHDLJHWPZPHGB-UHFFFAOYSA-N
XLogP1.70
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.70
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

3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propan-1-amine
CID 79220501
[1-[4-chloro-3-(trifluoromethyl)phenyl]-3,5-dimethylpyrazol-4-yl]methanamine
CID 82094824
(3,5-dimethyl-1-phenylpyrazol-4-yl)methanol
CID 2526674
[3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazol-4-yl]methanamine
CID 82085269
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-1-one
CID 9255518
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[4-(4-ethylpiperazin-1-yl)phenyl]propanamide
CID 9329096
2-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol
CID 110880028
4-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]aniline;hydrochloride
CID 91654280
1-(4-chlorophenyl)-4-ethyl-3,5-dimethylpyrazole
CID 50888250
N-[[1-(4-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(2-phenylethyl)propan-1-amine
CID 42878126
1-[4-(aminomethyl)-3-methyl-1-phenylpyrazol-5-yl]piperidin-3-ol
CID 61434843
1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,3-dihydroindole
CID 141099377

Frequently Asked Questions

What is the IUPAC name of [3,5-dimethyl-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-4-yl]methanamine?
The IUPAC name of [3,5-dimethyl-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-4-yl]methanamine (CID 84760283) is [3,5-dimethyl-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-4-yl]methanamine.
What is the SMILES notation for [3,5-dimethyl-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-4-yl]methanamine?
The canonical SMILES for [3,5-dimethyl-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-4-yl]methanamine is Cc1nn(-c2ccc(N3CCN(C)CC3)cc2)c(C)c1CN.
What is the InChIKey of [3,5-dimethyl-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-4-yl]methanamine?
The InChIKey is JWHDLJHWPZPHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-13-17(12-18)14(2)22(19-13)16-6-4-15(5-7-16)21-10-8-20(3)9-11-21/h4-7H,8-12,18H2,1-3H3.
What are the key properties of [3,5-dimethyl-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-4-yl]methanamine?
[3,5-dimethyl-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-4-yl]methanamine has a molecular weight of 299.42 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dimethyl-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-4-yl]methanamine is sourced from PubChem (CID 84760283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).