N-(3-methylphenyl)-1H-pyrazol-5-amine

C10H11N3 — CID 90800192

IUPACN-(3-methylphenyl)-1H-pyrazol-5-amine
SMILESCc1cccc(Nc2ccn[nH]2)c1
InChIInChI=1S/C10H11N3/c1-8-3-2-4-9(7-8)12-10-5-6-11-13-10/h2-7H,1H3,(H2,11,12,13)
InChIKeyTXEFGSCQKROTGT-UHFFFAOYSA-N
MW173.22 g/mol
LogP2.46
Rot. Bonds2

About N-(3-methylphenyl)-1H-pyrazol-5-amine

N-(3-methylphenyl)-1H-pyrazol-5-amine (PubChem CID 90800192) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is N-(3-methylphenyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound NameN-(3-methylphenyl)-1H-pyrazol-5-amine
PubChem CID90800192
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC NameN-(3-methylphenyl)-1H-pyrazol-5-amine
SMILESCc1cccc(Nc2ccn[nH]2)c1
InChIInChI=1S/C10H11N3/c1-8-3-2-4-9(7-8)12-10-5-6-11-13-10/h2-7H,1H3,(H2,11,12,13)
InChIKeyTXEFGSCQKROTGT-UHFFFAOYSA-N
XLogP2.46
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-1H-pyrazol-5-amine?
The IUPAC name of N-(3-methylphenyl)-1H-pyrazol-5-amine (CID 90800192) is N-(3-methylphenyl)-1H-pyrazol-5-amine.
What is the SMILES notation for N-(3-methylphenyl)-1H-pyrazol-5-amine?
The canonical SMILES for N-(3-methylphenyl)-1H-pyrazol-5-amine is Cc1cccc(Nc2ccn[nH]2)c1.
What is the InChIKey of N-(3-methylphenyl)-1H-pyrazol-5-amine?
The InChIKey is TXEFGSCQKROTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-8-3-2-4-9(7-8)12-10-5-6-11-13-10/h2-7H,1H3,(H2,11,12,13).
What are the key properties of N-(3-methylphenyl)-1H-pyrazol-5-amine?
N-(3-methylphenyl)-1H-pyrazol-5-amine has a molecular weight of 173.22 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 90800192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).