[4-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]phenyl]methanamine

C17H25N5 — CID 19627282

IUPAC[4-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]phenyl]methanamine
SMILESCc1nn(C)cc1CN1CCN(c2ccc(CN)cc2)CC1
InChIInChI=1S/C17H25N5/c1-14-16(12-20(2)19-14)13-21-7-9-22(10-8-21)17-5-3-15(11-18)4-6-17/h3-6,12H,7-11,13,18H2,1-2H3
InChIKeyJHRPKLXXQXYJLF-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.51
Rot. Bonds4

About [4-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]phenyl]methanamine

[4-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]phenyl]methanamine (PubChem CID 19627282) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is [4-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]phenyl]methanamine
PubChem CID19627282
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name[4-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]phenyl]methanamine
SMILESCc1nn(C)cc1CN1CCN(c2ccc(CN)cc2)CC1
InChIInChI=1S/C17H25N5/c1-14-16(12-20(2)19-14)13-21-7-9-22(10-8-21)17-5-3-15(11-18)4-6-17/h3-6,12H,7-11,13,18H2,1-2H3
InChIKeyJHRPKLXXQXYJLF-UHFFFAOYSA-N
XLogP1.51
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-(azetidin-1-ylmethyl)-1,3-dimethylpyrazole
CID 130652971
4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholine
CID 126855039
1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine
CID 131703772
1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-ethylsulfonylpiperazine
CID 22208274
1-[4-(aminomethyl)phenyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]methanesulfonamide
CID 115989498
[4-[4-(4-ethylphenyl)piperazin-1-yl]phenyl]methanamine
CID 71009970
(1,3-dimethylpyrazol-4-yl)methanamine;hydrate;hydrochloride
CID 86812145
3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 83090694
2-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]propanoic acid
CID 83094609
2-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methoxyphenyl)pyrazine;hydrochloride
CID 162331647
[1-[4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]piperidin-4-yl]methanol
CID 109479915
[4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]methanamine
CID 114393371

Frequently Asked Questions

What is the IUPAC name of [4-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]phenyl]methanamine?
The IUPAC name of [4-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]phenyl]methanamine (CID 19627282) is [4-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]phenyl]methanamine.
What is the SMILES notation for [4-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]phenyl]methanamine?
The canonical SMILES for [4-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]phenyl]methanamine is Cc1nn(C)cc1CN1CCN(c2ccc(CN)cc2)CC1.
What is the InChIKey of [4-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]phenyl]methanamine?
The InChIKey is JHRPKLXXQXYJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-14-16(12-20(2)19-14)13-21-7-9-22(10-8-21)17-5-3-15(11-18)4-6-17/h3-6,12H,7-11,13,18H2,1-2H3.
What are the key properties of [4-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]phenyl]methanamine?
[4-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]phenyl]methanamine has a molecular weight of 299.42 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]phenyl]methanamine is sourced from PubChem (CID 19627282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).