2,2-dimethyl-1-(1-phenylpyrazol-4-yl)-N-propylpropan-1-amine

C17H25N3 — CID 43497367

IUPAC2,2-dimethyl-1-(1-phenylpyrazol-4-yl)-N-propylpropan-1-amine
SMILESCCCNC(c1cnn(-c2ccccc2)c1)C(C)(C)C
InChIInChI=1S/C17H25N3/c1-5-11-18-16(17(2,3)4)14-12-19-20(13-14)15-9-7-6-8-10-15/h6-10,12-13,16,18H,5,11H2,1-4H3
InChIKeyIMXFSKVIJUBQCT-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.96
Rot. Bonds5

About 2,2-dimethyl-1-(1-phenylpyrazol-4-yl)-N-propylpropan-1-amine

2,2-dimethyl-1-(1-phenylpyrazol-4-yl)-N-propylpropan-1-amine (PubChem CID 43497367) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2,2-dimethyl-1-(1-phenylpyrazol-4-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-1-(1-phenylpyrazol-4-yl)-N-propylpropan-1-amine
PubChem CID43497367
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2,2-dimethyl-1-(1-phenylpyrazol-4-yl)-N-propylpropan-1-amine
SMILESCCCNC(c1cnn(-c2ccccc2)c1)C(C)(C)C
InChIInChI=1S/C17H25N3/c1-5-11-18-16(17(2,3)4)14-12-19-20(13-14)15-9-7-6-8-10-15/h6-10,12-13,16,18H,5,11H2,1-4H3
InChIKeyIMXFSKVIJUBQCT-UHFFFAOYSA-N
XLogP3.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-1-(1-phenylpyrazol-4-yl)-N-propylbutan-1-amine
CID 43497373
2,2-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 43497251
1-(1-phenylpyrazol-4-yl)-N-propylpent-3-yn-1-amine
CID 105112397
2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanol
CID 81302041
N-(2-ethylsulfonylethyl)-1-(1-phenylpyrazol-4-yl)ethanamine
CID 103780937
N-ethyl-2-methyl-1-(1-phenylpyrazol-4-yl)butan-1-amine
CID 43492532
1-[1-(1-phenylpyrazol-4-yl)ethylamino]pentan-3-ol
CID 115729125
N,2-dimethyl-1-(1-phenylpyrazol-4-yl)propan-1-amine
CID 43486000
N-ethyl-2-methoxy-1-(1-phenylpyrazol-4-yl)ethanamine
CID 105165630
N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 43497243
3-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]butan-2-amine
CID 81300600
1-(1-phenylpyrazol-4-yl)ethylhydrazine
CID 81470645

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(1-phenylpyrazol-4-yl)-N-propylpropan-1-amine?
The IUPAC name of 2,2-dimethyl-1-(1-phenylpyrazol-4-yl)-N-propylpropan-1-amine (CID 43497367) is 2,2-dimethyl-1-(1-phenylpyrazol-4-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 2,2-dimethyl-1-(1-phenylpyrazol-4-yl)-N-propylpropan-1-amine?
The canonical SMILES for 2,2-dimethyl-1-(1-phenylpyrazol-4-yl)-N-propylpropan-1-amine is CCCNC(c1cnn(-c2ccccc2)c1)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-1-(1-phenylpyrazol-4-yl)-N-propylpropan-1-amine?
The InChIKey is IMXFSKVIJUBQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-5-11-18-16(17(2,3)4)14-12-19-20(13-14)15-9-7-6-8-10-15/h6-10,12-13,16,18H,5,11H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-(1-phenylpyrazol-4-yl)-N-propylpropan-1-amine?
2,2-dimethyl-1-(1-phenylpyrazol-4-yl)-N-propylpropan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(1-phenylpyrazol-4-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 43497367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).