5-(2-methyl-5-propan-2-ylphenyl)-1H-pyrazol-3-amine

C13H17N3 — CID 82471385

IUPAC5-(2-methyl-5-propan-2-ylphenyl)-1H-pyrazol-3-amine
SMILESCc1ccc(C(C)C)cc1-c1cc(N)n[nH]1
InChIInChI=1S/C13H17N3/c1-8(2)10-5-4-9(3)11(6-10)12-7-13(14)16-15-12/h4-8H,1-3H3,(H3,14,15,16)
InChIKeyOLCMDWQMGFJOFS-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.09
Rot. Bonds2

About 5-(2-methyl-5-propan-2-ylphenyl)-1H-pyrazol-3-amine

5-(2-methyl-5-propan-2-ylphenyl)-1H-pyrazol-3-amine (PubChem CID 82471385) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 5-(2-methyl-5-propan-2-ylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2-methyl-5-propan-2-ylphenyl)-1H-pyrazol-3-amine
PubChem CID82471385
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name5-(2-methyl-5-propan-2-ylphenyl)-1H-pyrazol-3-amine
SMILESCc1ccc(C(C)C)cc1-c1cc(N)n[nH]1
InChIInChI=1S/C13H17N3/c1-8(2)10-5-4-9(3)11(6-10)12-7-13(14)16-15-12/h4-8H,1-3H3,(H3,14,15,16)
InChIKeyOLCMDWQMGFJOFS-UHFFFAOYSA-N
XLogP3.09
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 82495942
5-(3,4-dimethyl-2-propan-2-yloxyphenyl)-1H-pyrazol-3-amine
CID 117365767
5-(1,2-dimethyl-5-propan-2-ylindol-3-yl)-1H-pyrazol-3-amine
CID 84743031
6-(3-amino-1H-pyrazol-5-yl)-2-chloro-3-methylphenol
CID 136968444
1,4-dimethyl-6-propan-2-ylazulene
CID 19861187
5-(3-bromo-5-propan-2-ylphenyl)-1H-pyrazol-3-amine
CID 117449534
2-methyl-5-propan-2-ylaniline;hydrochloride
CID 70565459
[1-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]cyclopropyl]methanamine
CID 116882117
3-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]propan-1-amine
CID 116876927
4-(3-amino-1H-pyrazol-5-yl)-2,3-dimethylphenol
CID 136998614
2-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]ethanethiol
CID 116879331
2-(3-amino-1H-pyrazol-5-yl)-4-methoxy-5-methylphenol
CID 136993747

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-5-propan-2-ylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(2-methyl-5-propan-2-ylphenyl)-1H-pyrazol-3-amine (CID 82471385) is 5-(2-methyl-5-propan-2-ylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2-methyl-5-propan-2-ylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2-methyl-5-propan-2-ylphenyl)-1H-pyrazol-3-amine is Cc1ccc(C(C)C)cc1-c1cc(N)n[nH]1.
What is the InChIKey of 5-(2-methyl-5-propan-2-ylphenyl)-1H-pyrazol-3-amine?
The InChIKey is OLCMDWQMGFJOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-8(2)10-5-4-9(3)11(6-10)12-7-13(14)16-15-12/h4-8H,1-3H3,(H3,14,15,16).
What are the key properties of 5-(2-methyl-5-propan-2-ylphenyl)-1H-pyrazol-3-amine?
5-(2-methyl-5-propan-2-ylphenyl)-1H-pyrazol-3-amine has a molecular weight of 215.30 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-5-propan-2-ylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 82471385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).