[4-(1,5-dimethylpyrazol-4-yl)phenyl]methanamine

C12H15N3 — CID 66097207

IUPAC[4-(1,5-dimethylpyrazol-4-yl)phenyl]methanamine
SMILESCc1c(-c2ccc(CN)cc2)cnn1C
InChIInChI=1S/C12H15N3/c1-9-12(8-14-15(9)2)11-5-3-10(7-13)4-6-11/h3-6,8H,7,13H2,1-2H3
InChIKeyDRADEURJBJYFON-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.85
Rot. Bonds2

About [4-(1,5-dimethylpyrazol-4-yl)phenyl]methanamine

[4-(1,5-dimethylpyrazol-4-yl)phenyl]methanamine (PubChem CID 66097207) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is [4-(1,5-dimethylpyrazol-4-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(1,5-dimethylpyrazol-4-yl)phenyl]methanamine
PubChem CID66097207
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name[4-(1,5-dimethylpyrazol-4-yl)phenyl]methanamine
SMILESCc1c(-c2ccc(CN)cc2)cnn1C
InChIInChI=1S/C12H15N3/c1-9-12(8-14-15(9)2)11-5-3-10(7-13)4-6-11/h3-6,8H,7,13H2,1-2H3
InChIKeyDRADEURJBJYFON-UHFFFAOYSA-N
XLogP1.85
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1,5-dimethylpyrazol-4-yl)phenyl]propan-2-amine
CID 114081519
methyl 4-[4-(aminomethyl)phenyl]-1-methylpyrazole-5-carboxylate
CID 164928869
[5-(1,5-dimethylpyrazol-4-yl)furan-2-yl]methanamine
CID 106888910
N-[[4-(aminomethyl)phenyl]methyl]-N,1,5-trimethylpyrazole-4-carboxamide
CID 60922468
5-[4-(aminomethyl)phenyl]-1-methylpyrazole-4-carbaldehyde
CID 174489258
4-(3-fluoro-4-methylphenyl)-1,5-dimethylpyrazole
CID 121385904
[5-chloro-2-(1,5-dimethylpyrazol-4-yl)phenyl]methanamine
CID 66156710
[4-(2-methyltriazol-4-yl)phenyl]methanamine
CID 130602543
[4-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]methanamine
CID 62696261
[4-(1-methyltetrazol-5-yl)phenyl]methanamine
CID 82228462
3-[4-(1,5-dimethylpyrazol-4-yl)phenoxy]propanoic acid
CID 167786026
[2-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-5-yl]methanamine
CID 79584303

Frequently Asked Questions

What is the IUPAC name of [4-(1,5-dimethylpyrazol-4-yl)phenyl]methanamine?
The IUPAC name of [4-(1,5-dimethylpyrazol-4-yl)phenyl]methanamine (CID 66097207) is [4-(1,5-dimethylpyrazol-4-yl)phenyl]methanamine.
What is the SMILES notation for [4-(1,5-dimethylpyrazol-4-yl)phenyl]methanamine?
The canonical SMILES for [4-(1,5-dimethylpyrazol-4-yl)phenyl]methanamine is Cc1c(-c2ccc(CN)cc2)cnn1C.
What is the InChIKey of [4-(1,5-dimethylpyrazol-4-yl)phenyl]methanamine?
The InChIKey is DRADEURJBJYFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-9-12(8-14-15(9)2)11-5-3-10(7-13)4-6-11/h3-6,8H,7,13H2,1-2H3.
What are the key properties of [4-(1,5-dimethylpyrazol-4-yl)phenyl]methanamine?
[4-(1,5-dimethylpyrazol-4-yl)phenyl]methanamine has a molecular weight of 201.27 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,5-dimethylpyrazol-4-yl)phenyl]methanamine is sourced from PubChem (CID 66097207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).