3,3-dimethyl-1-phenyl-N-[1-(1H-pyrazol-5-yl)ethyl]butan-1-amine

C17H25N3 — CID 60971551

IUPAC3,3-dimethyl-1-phenyl-N-[1-(1H-pyrazol-5-yl)ethyl]butan-1-amine
SMILESCC(NC(CC(C)(C)C)c1ccccc1)c1ccn[nH]1
InChIInChI=1S/C17H25N3/c1-13(15-10-11-18-20-15)19-16(12-17(2,3)4)14-8-6-5-7-9-14/h5-11,13,16,19H,12H2,1-4H3,(H,18,20)
InChIKeyHHLNDRZOUXPDGI-UHFFFAOYSA-N
MW271.41 g/mol
LogP4.24
Rot. Bonds5

About 3,3-dimethyl-1-phenyl-N-[1-(1H-pyrazol-5-yl)ethyl]butan-1-amine

3,3-dimethyl-1-phenyl-N-[1-(1H-pyrazol-5-yl)ethyl]butan-1-amine (PubChem CID 60971551) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 3,3-dimethyl-1-phenyl-N-[1-(1H-pyrazol-5-yl)ethyl]butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-phenyl-N-[1-(1H-pyrazol-5-yl)ethyl]butan-1-amine
PubChem CID60971551
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name3,3-dimethyl-1-phenyl-N-[1-(1H-pyrazol-5-yl)ethyl]butan-1-amine
SMILESCC(NC(CC(C)(C)C)c1ccccc1)c1ccn[nH]1
InChIInChI=1S/C17H25N3/c1-13(15-10-11-18-20-15)19-16(12-17(2,3)4)14-8-6-5-7-9-14/h5-11,13,16,19H,12H2,1-4H3,(H,18,20)
InChIKeyHHLNDRZOUXPDGI-UHFFFAOYSA-N
XLogP4.24
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-phenyl-2-[1-(1H-pyrazol-5-yl)ethylamino]ethanol
CID 107862495
3,3-dimethyl-1-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]butan-1-amine
CID 106209318
2-ethyl-1-phenyl-N-[1-(1H-pyrazol-5-yl)ethyl]butan-1-amine
CID 60971934
N-(1-cyclopropylethyl)-3,3-dimethyl-1-phenylbutan-1-amine
CID 43740482
(1S)-N-benzyl-1-(1H-pyrazol-5-yl)ethanamine
CID 93389562
N-(3,3-dimethyl-1-phenylbutyl)-1H-pyrazol-4-amine
CID 43776931
(1S)-1-(3-chlorophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 81366906
(1R)-1-(3-bromophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 81371761
1-(3-fluorophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 54881269
(1R)-1-(4-methylphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 81349237
(2S)-3-methyl-2-[1-(1H-pyrazol-5-yl)ethylamino]butan-1-ol
CID 79253582
N-[1-(1H-pyrazol-5-yl)ethyl]pentan-2-amine
CID 60972648

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-phenyl-N-[1-(1H-pyrazol-5-yl)ethyl]butan-1-amine?
The IUPAC name of 3,3-dimethyl-1-phenyl-N-[1-(1H-pyrazol-5-yl)ethyl]butan-1-amine (CID 60971551) is 3,3-dimethyl-1-phenyl-N-[1-(1H-pyrazol-5-yl)ethyl]butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-1-phenyl-N-[1-(1H-pyrazol-5-yl)ethyl]butan-1-amine?
The canonical SMILES for 3,3-dimethyl-1-phenyl-N-[1-(1H-pyrazol-5-yl)ethyl]butan-1-amine is CC(NC(CC(C)(C)C)c1ccccc1)c1ccn[nH]1.
What is the InChIKey of 3,3-dimethyl-1-phenyl-N-[1-(1H-pyrazol-5-yl)ethyl]butan-1-amine?
The InChIKey is HHLNDRZOUXPDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-13(15-10-11-18-20-15)19-16(12-17(2,3)4)14-8-6-5-7-9-14/h5-11,13,16,19H,12H2,1-4H3,(H,18,20).
What are the key properties of 3,3-dimethyl-1-phenyl-N-[1-(1H-pyrazol-5-yl)ethyl]butan-1-amine?
3,3-dimethyl-1-phenyl-N-[1-(1H-pyrazol-5-yl)ethyl]butan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-phenyl-N-[1-(1H-pyrazol-5-yl)ethyl]butan-1-amine is sourced from PubChem (CID 60971551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).