4-(4-methylpyrazol-1-yl)aniline

C10H11N3 — CID 19626850

IUPAC4-(4-methylpyrazol-1-yl)aniline
SMILESCc1cnn(-c2ccc(N)cc2)c1
InChIInChI=1S/C10H11N3/c1-8-6-12-13(7-8)10-4-2-9(11)3-5-10/h2-7H,11H2,1H3
InChIKeyZRTXOXGWSWOXNV-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.76
Rot. Bonds1

About 4-(4-methylpyrazol-1-yl)aniline

4-(4-methylpyrazol-1-yl)aniline (PubChem CID 19626850) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 4-(4-methylpyrazol-1-yl)aniline.

Molecular Properties

Compound Name4-(4-methylpyrazol-1-yl)aniline
PubChem CID19626850
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name4-(4-methylpyrazol-1-yl)aniline
SMILESCc1cnn(-c2ccc(N)cc2)c1
InChIInChI=1S/C10H11N3/c1-8-6-12-13(7-8)10-4-2-9(11)3-5-10/h2-7H,11H2,1H3
InChIKeyZRTXOXGWSWOXNV-UHFFFAOYSA-N
XLogP1.76
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(1H-Pyrazol-1-yl)aniline
CID 594274
3-methyl-1-(4-nitrophenyl)-1H-pyrazole
CID 804933
1-(2-fluorobenzyl)-1H-pyrazol-4-amine
CID 4362222
1-Phenyl-1H-pyrazol-4-amine
CID 121021
1-Phenyl-3-propyl-pyrazole
CID 57320331
(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methanamine
CID 818484
1-Phenylpyrazole
CID 70769
1-phenyl-1H-pyrazol-3-amine
CID 594320
4-Bromo-1-phenyl-1H-pyrazole
CID 786811
1-Methyl-3-phenyl-1H-pyrazole
CID 137946
1-benzyl-1H-pyrazol-4-amine
CID 206694
Acetamide, N-(1-phenylpyrazol-4-yl)-
CID 200720

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpyrazol-1-yl)aniline?
The IUPAC name of 4-(4-methylpyrazol-1-yl)aniline (CID 19626850) is 4-(4-methylpyrazol-1-yl)aniline.
What is the SMILES notation for 4-(4-methylpyrazol-1-yl)aniline?
The canonical SMILES for 4-(4-methylpyrazol-1-yl)aniline is Cc1cnn(-c2ccc(N)cc2)c1.
What is the InChIKey of 4-(4-methylpyrazol-1-yl)aniline?
The InChIKey is ZRTXOXGWSWOXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-8-6-12-13(7-8)10-4-2-9(11)3-5-10/h2-7H,11H2,1H3.
What are the key properties of 4-(4-methylpyrazol-1-yl)aniline?
4-(4-methylpyrazol-1-yl)aniline has a molecular weight of 173.22 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpyrazol-1-yl)aniline is sourced from PubChem (CID 19626850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).