N-(2,6-dimethylphenyl)-1H-pyrazol-4-amine

C11H13N3 — CID 51361055

IUPACN-(2,6-dimethylphenyl)-1H-pyrazol-4-amine
SMILESCc1cccc(C)c1Nc1cn[nH]c1
InChIInChI=1S/C11H13N3/c1-8-4-3-5-9(2)11(8)14-10-6-12-13-7-10/h3-7,14H,1-2H3,(H,12,13)
InChIKeyFLCSOXKTKDSAIP-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.77
Rot. Bonds2

About N-(2,6-dimethylphenyl)-1H-pyrazol-4-amine

N-(2,6-dimethylphenyl)-1H-pyrazol-4-amine (PubChem CID 51361055) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-1H-pyrazol-4-amine
PubChem CID51361055
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC NameN-(2,6-dimethylphenyl)-1H-pyrazol-4-amine
SMILESCc1cccc(C)c1Nc1cn[nH]c1
InChIInChI=1S/C11H13N3/c1-8-4-3-5-9(2)11(8)14-10-6-12-13-7-10/h3-7,14H,1-2H3,(H,12,13)
InChIKeyFLCSOXKTKDSAIP-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-(2,6-dimethylphenyl)-1H-pyrazol-4-amine?
The IUPAC name of N-(2,6-dimethylphenyl)-1H-pyrazol-4-amine (CID 51361055) is N-(2,6-dimethylphenyl)-1H-pyrazol-4-amine.
What is the SMILES notation for N-(2,6-dimethylphenyl)-1H-pyrazol-4-amine?
The canonical SMILES for N-(2,6-dimethylphenyl)-1H-pyrazol-4-amine is Cc1cccc(C)c1Nc1cn[nH]c1.
What is the InChIKey of N-(2,6-dimethylphenyl)-1H-pyrazol-4-amine?
The InChIKey is FLCSOXKTKDSAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-8-4-3-5-9(2)11(8)14-10-6-12-13-7-10/h3-7,14H,1-2H3,(H,12,13).
What are the key properties of N-(2,6-dimethylphenyl)-1H-pyrazol-4-amine?
N-(2,6-dimethylphenyl)-1H-pyrazol-4-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-(2,6-dimethylphenyl)-1H-pyrazol-4-amine is sourced from PubChem (CID 51361055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).