(2S)-N-(2,2-dimethyl-3-phenylpropyl)-3-methyl-1-pyrazol-1-ylbutan-2-amine

C19H29N3 — CID 100620691

IUPAC(2S)-N-(2,2-dimethyl-3-phenylpropyl)-3-methyl-1-pyrazol-1-ylbutan-2-amine
SMILESCC(C)[C@@H](Cn1cccn1)NCC(C)(C)Cc1ccccc1
InChIInChI=1S/C19H29N3/c1-16(2)18(14-22-12-8-11-21-22)20-15-19(3,4)13-17-9-6-5-7-10-17/h5-12,16,18,20H,13-15H2,1-4H3/t18-/m1/s1
InChIKeyPYNJDZAVPKXLDR-GOSISDBHSA-N
MW299.46 g/mol
LogP3.77
Rot. Bonds8

About (2S)-N-(2,2-dimethyl-3-phenylpropyl)-3-methyl-1-pyrazol-1-ylbutan-2-amine

(2S)-N-(2,2-dimethyl-3-phenylpropyl)-3-methyl-1-pyrazol-1-ylbutan-2-amine (PubChem CID 100620691) has the molecular formula C19H29N3 and a molecular weight of 299.46 g/mol. Its IUPAC name is (2S)-N-(2,2-dimethyl-3-phenylpropyl)-3-methyl-1-pyrazol-1-ylbutan-2-amine.

Molecular Properties

Compound Name(2S)-N-(2,2-dimethyl-3-phenylpropyl)-3-methyl-1-pyrazol-1-ylbutan-2-amine
PubChem CID100620691
Molecular FormulaC19H29N3
Molecular Weight299.46 g/mol
Exact Mass299.24
IUPAC Name(2S)-N-(2,2-dimethyl-3-phenylpropyl)-3-methyl-1-pyrazol-1-ylbutan-2-amine
SMILESCC(C)[C@@H](Cn1cccn1)NCC(C)(C)Cc1ccccc1
InChIInChI=1S/C19H29N3/c1-16(2)18(14-22-12-8-11-21-22)20-15-19(3,4)13-17-9-6-5-7-10-17/h5-12,16,18,20H,13-15H2,1-4H3/t18-/m1/s1
InChIKeyPYNJDZAVPKXLDR-GOSISDBHSA-N
XLogP3.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-difluoro-3-[(3-methyl-1-pyrazol-1-ylbutan-2-yl)amino]propan-1-ol
CID 114270884
1-(1-phenylpropan-2-ylamino)-3-pyrazol-1-ylpropan-2-ol
CID 63011260
1-(2,2-dimethyl-3-phenylpropyl)-2-methyl-3-(3-pyrazol-1-ylpropyl)guanidine
CID 111619241
1-(2,2-dimethyl-3-phenylpropyl)-2-methyl-3-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111619240
3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-pyrazol-1-ylbutan-2-amine
CID 114270882
N',N'-dimethyl-N-(3-methyl-1-pyrazol-1-ylbutan-2-yl)butane-1,4-diamine
CID 114270847
1-[[(1R)-1-phenylethyl]amino]-3-pyrazol-1-ylpropan-2-ol
CID 63867828
(1R)-1-phenyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]propan-1-amine
CID 93276656
N-ethyl-1-pyrazol-1-ylpropan-2-amine
CID 43435880
(2R)-N-[[1-(methoxymethyl)cyclobutyl]methyl]-3-methyl-1-pyrazol-1-ylbutan-2-amine
CID 124736967
(2R)-3-fluoro-3-methyl-4-phenylmethoxy-1-pyrazol-1-ylbutan-2-amine
CID 135182123
methyl 2-benzyl-3-pyrazol-1-ylpropanoate
CID 22910248

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,2-dimethyl-3-phenylpropyl)-3-methyl-1-pyrazol-1-ylbutan-2-amine?
The IUPAC name of (2S)-N-(2,2-dimethyl-3-phenylpropyl)-3-methyl-1-pyrazol-1-ylbutan-2-amine (CID 100620691) is (2S)-N-(2,2-dimethyl-3-phenylpropyl)-3-methyl-1-pyrazol-1-ylbutan-2-amine.
What is the SMILES notation for (2S)-N-(2,2-dimethyl-3-phenylpropyl)-3-methyl-1-pyrazol-1-ylbutan-2-amine?
The canonical SMILES for (2S)-N-(2,2-dimethyl-3-phenylpropyl)-3-methyl-1-pyrazol-1-ylbutan-2-amine is CC(C)[C@@H](Cn1cccn1)NCC(C)(C)Cc1ccccc1.
What is the InChIKey of (2S)-N-(2,2-dimethyl-3-phenylpropyl)-3-methyl-1-pyrazol-1-ylbutan-2-amine?
The InChIKey is PYNJDZAVPKXLDR-GOSISDBHSA-N. The full InChI is InChI=1S/C19H29N3/c1-16(2)18(14-22-12-8-11-21-22)20-15-19(3,4)13-17-9-6-5-7-10-17/h5-12,16,18,20H,13-15H2,1-4H3/t18-/m1/s1.
What are the key properties of (2S)-N-(2,2-dimethyl-3-phenylpropyl)-3-methyl-1-pyrazol-1-ylbutan-2-amine?
(2S)-N-(2,2-dimethyl-3-phenylpropyl)-3-methyl-1-pyrazol-1-ylbutan-2-amine has a molecular weight of 299.46 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,2-dimethyl-3-phenylpropyl)-3-methyl-1-pyrazol-1-ylbutan-2-amine is sourced from PubChem (CID 100620691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).