N-(2-methyl-5-propan-2-ylphenyl)-1H-pyrazol-5-amine

C13H17N3 — CID 126752492

IUPACN-(2-methyl-5-propan-2-ylphenyl)-1H-pyrazol-5-amine
SMILESCc1ccc(C(C)C)cc1Nc1ccn[nH]1
InChIInChI=1S/C13H17N3/c1-9(2)11-5-4-10(3)12(8-11)15-13-6-7-14-16-13/h4-9H,1-3H3,(H2,14,15,16)
InChIKeySPWINIBTOSMLLP-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.59
Rot. Bonds3

About N-(2-methyl-5-propan-2-ylphenyl)-1H-pyrazol-5-amine

N-(2-methyl-5-propan-2-ylphenyl)-1H-pyrazol-5-amine (PubChem CID 126752492) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-(2-methyl-5-propan-2-ylphenyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound NameN-(2-methyl-5-propan-2-ylphenyl)-1H-pyrazol-5-amine
PubChem CID126752492
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN-(2-methyl-5-propan-2-ylphenyl)-1H-pyrazol-5-amine
SMILESCc1ccc(C(C)C)cc1Nc1ccn[nH]1
InChIInChI=1S/C13H17N3/c1-9(2)11-5-4-10(3)12(8-11)15-13-6-7-14-16-13/h4-9H,1-3H3,(H2,14,15,16)
InChIKeySPWINIBTOSMLLP-UHFFFAOYSA-N
XLogP3.59
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-propan-2-ylphenyl)-1H-pyrazol-5-amine?
The IUPAC name of N-(2-methyl-5-propan-2-ylphenyl)-1H-pyrazol-5-amine (CID 126752492) is N-(2-methyl-5-propan-2-ylphenyl)-1H-pyrazol-5-amine.
What is the SMILES notation for N-(2-methyl-5-propan-2-ylphenyl)-1H-pyrazol-5-amine?
The canonical SMILES for N-(2-methyl-5-propan-2-ylphenyl)-1H-pyrazol-5-amine is Cc1ccc(C(C)C)cc1Nc1ccn[nH]1.
What is the InChIKey of N-(2-methyl-5-propan-2-ylphenyl)-1H-pyrazol-5-amine?
The InChIKey is SPWINIBTOSMLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-9(2)11-5-4-10(3)12(8-11)15-13-6-7-14-16-13/h4-9H,1-3H3,(H2,14,15,16).
What are the key properties of N-(2-methyl-5-propan-2-ylphenyl)-1H-pyrazol-5-amine?
N-(2-methyl-5-propan-2-ylphenyl)-1H-pyrazol-5-amine has a molecular weight of 215.30 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-propan-2-ylphenyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 126752492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).