N-(4-phenylbutan-2-yl)-1H-pyrazol-4-amine

C13H17N3 — CID 43540049

IUPACN-(4-phenylbutan-2-yl)-1H-pyrazol-4-amine
SMILESCC(CCc1ccccc1)Nc1cn[nH]c1
InChIInChI=1S/C13H17N3/c1-11(16-13-9-14-15-10-13)7-8-12-5-3-2-4-6-12/h2-6,9-11,16H,7-8H2,1H3,(H,14,15)
InChIKeyOUIBRNLRUQBSIX-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.84
Rot. Bonds5

About N-(4-phenylbutan-2-yl)-1H-pyrazol-4-amine

N-(4-phenylbutan-2-yl)-1H-pyrazol-4-amine (PubChem CID 43540049) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-(4-phenylbutan-2-yl)-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-(4-phenylbutan-2-yl)-1H-pyrazol-4-amine
PubChem CID43540049
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN-(4-phenylbutan-2-yl)-1H-pyrazol-4-amine
SMILESCC(CCc1ccccc1)Nc1cn[nH]c1
InChIInChI=1S/C13H17N3/c1-11(16-13-9-14-15-10-13)7-8-12-5-3-2-4-6-12/h2-6,9-11,16H,7-8H2,1H3,(H,14,15)
InChIKeyOUIBRNLRUQBSIX-UHFFFAOYSA-N
XLogP2.84
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-phenylbutan-2-yl)-1H-indazol-5-amine
CID 43690949
N-(4-phenylbutan-2-yl)-4-propan-2-ylaniline
CID 43107704
3,4-dichloro-N-(4-phenylbutan-2-yl)aniline
CID 43110414
1-(2-methoxyethyl)-N-(4-phenylbutan-2-yl)pyrazol-4-amine
CID 43729083
3-methoxy-N-[(2S)-4-phenylbutan-2-yl]aniline
CID 29291478
N-(5-phenylpentan-2-yl)aniline
CID 134967933
3-fluoro-N-(4-phenylbutan-2-yl)aniline
CID 43095548
4-phenyl-N-phenylmethoxybutan-2-amine
CID 82709894
4-(3-phenylbutyl)-1H-pyrazole
CID 138612151
N-(4-phenylbutan-2-yl)thiadiazol-5-amine
CID 107649389
N-(2-phenylpropyl)-1H-pyrazol-4-amine
CID 43539887
1-methyl-N-(4-phenylbutan-2-yl)imidazol-2-amine
CID 62133485

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutan-2-yl)-1H-pyrazol-4-amine?
The IUPAC name of N-(4-phenylbutan-2-yl)-1H-pyrazol-4-amine (CID 43540049) is N-(4-phenylbutan-2-yl)-1H-pyrazol-4-amine.
What is the SMILES notation for N-(4-phenylbutan-2-yl)-1H-pyrazol-4-amine?
The canonical SMILES for N-(4-phenylbutan-2-yl)-1H-pyrazol-4-amine is CC(CCc1ccccc1)Nc1cn[nH]c1.
What is the InChIKey of N-(4-phenylbutan-2-yl)-1H-pyrazol-4-amine?
The InChIKey is OUIBRNLRUQBSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-11(16-13-9-14-15-10-13)7-8-12-5-3-2-4-6-12/h2-6,9-11,16H,7-8H2,1H3,(H,14,15).
What are the key properties of N-(4-phenylbutan-2-yl)-1H-pyrazol-4-amine?
N-(4-phenylbutan-2-yl)-1H-pyrazol-4-amine has a molecular weight of 215.30 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutan-2-yl)-1H-pyrazol-4-amine is sourced from PubChem (CID 43540049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).