N-(3,3-dimethyl-1-phenylbutyl)-1H-pyrazol-4-amine

C15H21N3 — CID 43776931

IUPACN-(3,3-dimethyl-1-phenylbutyl)-1H-pyrazol-4-amine
SMILESCC(C)(C)CC(Nc1cn[nH]c1)c1ccccc1
InChIInChI=1S/C15H21N3/c1-15(2,3)9-14(12-7-5-4-6-8-12)18-13-10-16-17-11-13/h4-8,10-11,14,18H,9H2,1-3H3,(H,16,17)
InChIKeySULRXOBDFVEVKI-UHFFFAOYSA-N
MW243.35 g/mol
LogP4.00
Rot. Bonds4

About N-(3,3-dimethyl-1-phenylbutyl)-1H-pyrazol-4-amine

N-(3,3-dimethyl-1-phenylbutyl)-1H-pyrazol-4-amine (PubChem CID 43776931) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-(3,3-dimethyl-1-phenylbutyl)-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-(3,3-dimethyl-1-phenylbutyl)-1H-pyrazol-4-amine
PubChem CID43776931
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-(3,3-dimethyl-1-phenylbutyl)-1H-pyrazol-4-amine
SMILESCC(C)(C)CC(Nc1cn[nH]c1)c1ccccc1
InChIInChI=1S/C15H21N3/c1-15(2,3)9-14(12-7-5-4-6-8-12)18-13-10-16-17-11-13/h4-8,10-11,14,18H,9H2,1-3H3,(H,16,17)
InChIKeySULRXOBDFVEVKI-UHFFFAOYSA-N
XLogP4.00
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-1-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]butan-1-amine
CID 106209318
N-(3,3-dimethyl-1-phenylbutyl)-1H-pyrazole-4-sulfonamide
CID 61273867
N-(2-phenylpropyl)-1H-pyrazol-4-amine
CID 43539887
3-bromo-N-(3,3-dimethyl-1-phenylbutyl)-4-methylaniline
CID 63464243
2-bromo-N-(3,3-dimethyl-1-phenylbutyl)aniline
CID 43762679
3,3-dimethyl-1-phenyl-N-[1-(1H-pyrazol-5-yl)ethyl]butan-1-amine
CID 60971551
N-(4-phenylbutan-2-yl)-1H-pyrazol-4-amine
CID 43540049
3,3-dimethyl-1-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butan-1-amine
CID 64545600
[3,3-dimethyl-1-(sulfamoylamino)butyl]benzene
CID 112684756
3,3,3-trifluoro-1-phenyl-N-(1H-pyrazol-4-ylmethyl)propan-1-amine
CID 54897637
N-[1-(3,4-dimethoxyphenyl)propyl]-1H-pyrazol-4-amine
CID 43539839
3,3-dimethyl-1-phenyl-N-(pyrimidin-5-ylmethyl)butan-1-amine
CID 62758422

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-1-phenylbutyl)-1H-pyrazol-4-amine?
The IUPAC name of N-(3,3-dimethyl-1-phenylbutyl)-1H-pyrazol-4-amine (CID 43776931) is N-(3,3-dimethyl-1-phenylbutyl)-1H-pyrazol-4-amine.
What is the SMILES notation for N-(3,3-dimethyl-1-phenylbutyl)-1H-pyrazol-4-amine?
The canonical SMILES for N-(3,3-dimethyl-1-phenylbutyl)-1H-pyrazol-4-amine is CC(C)(C)CC(Nc1cn[nH]c1)c1ccccc1.
What is the InChIKey of N-(3,3-dimethyl-1-phenylbutyl)-1H-pyrazol-4-amine?
The InChIKey is SULRXOBDFVEVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-15(2,3)9-14(12-7-5-4-6-8-12)18-13-10-16-17-11-13/h4-8,10-11,14,18H,9H2,1-3H3,(H,16,17).
What are the key properties of N-(3,3-dimethyl-1-phenylbutyl)-1H-pyrazol-4-amine?
N-(3,3-dimethyl-1-phenylbutyl)-1H-pyrazol-4-amine has a molecular weight of 243.35 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-1-phenylbutyl)-1H-pyrazol-4-amine is sourced from PubChem (CID 43776931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).