N-(2,4-dimethylphenyl)-1H-pyrazol-5-amine

C11H13N3 — CID 90804620

IUPACN-(2,4-dimethylphenyl)-1H-pyrazol-5-amine
SMILESCc1ccc(Nc2ccn[nH]2)c(C)c1
InChIInChI=1S/C11H13N3/c1-8-3-4-10(9(2)7-8)13-11-5-6-12-14-11/h3-7H,1-2H3,(H2,12,13,14)
InChIKeyOJYVANNIVFLMRH-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.77
Rot. Bonds2

About N-(2,4-dimethylphenyl)-1H-pyrazol-5-amine

N-(2,4-dimethylphenyl)-1H-pyrazol-5-amine (PubChem CID 90804620) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-1H-pyrazol-5-amine
PubChem CID90804620
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC NameN-(2,4-dimethylphenyl)-1H-pyrazol-5-amine
SMILESCc1ccc(Nc2ccn[nH]2)c(C)c1
InChIInChI=1S/C11H13N3/c1-8-3-4-10(9(2)7-8)13-11-5-6-12-14-11/h3-7H,1-2H3,(H2,12,13,14)
InChIKeyOJYVANNIVFLMRH-UHFFFAOYSA-N
XLogP2.77
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-1H-pyrazol-5-amine?
The IUPAC name of N-(2,4-dimethylphenyl)-1H-pyrazol-5-amine (CID 90804620) is N-(2,4-dimethylphenyl)-1H-pyrazol-5-amine.
What is the SMILES notation for N-(2,4-dimethylphenyl)-1H-pyrazol-5-amine?
The canonical SMILES for N-(2,4-dimethylphenyl)-1H-pyrazol-5-amine is Cc1ccc(Nc2ccn[nH]2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-1H-pyrazol-5-amine?
The InChIKey is OJYVANNIVFLMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-8-3-4-10(9(2)7-8)13-11-5-6-12-14-11/h3-7H,1-2H3,(H2,12,13,14).
What are the key properties of N-(2,4-dimethylphenyl)-1H-pyrazol-5-amine?
N-(2,4-dimethylphenyl)-1H-pyrazol-5-amine has a molecular weight of 187.25 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 90804620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).