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

C12H23N3 — CID 43497251

IUPAC2,2-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
SMILESCCCNC(c1cnn(C)c1)C(C)(C)C
InChIInChI=1S/C12H23N3/c1-6-7-13-11(12(2,3)4)10-8-14-15(5)9-10/h8-9,11,13H,6-7H2,1-5H3
InChIKeyLXWPWXLWZUYMKY-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.51
Rot. Bonds4

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

2,2-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine (PubChem CID 43497251) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 2,2-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
PubChem CID43497251
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name2,2-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
SMILESCCCNC(c1cnn(C)c1)C(C)(C)C
InChIInChI=1S/C12H23N3/c1-6-7-13-11(12(2,3)4)10-8-14-15(5)9-10/h8-9,11,13H,6-7H2,1-5H3
InChIKeyLXWPWXLWZUYMKY-UHFFFAOYSA-N
XLogP2.51
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 43497243
N-ethyl-2,2-dimethyl-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 43492399
2-ethyl-2-N,2-N-dimethyl-1-(1-methylpyrazol-4-yl)-1-N-propylbutane-1,2-diamine
CID 79062553
1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 43497248
2,2-dimethyl-1-(1-phenylpyrazol-4-yl)-N-propylpropan-1-amine
CID 43497367
4,4-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylpentan-1-amine
CID 65200553
2-ethoxy-3,3-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylbutan-1-amine
CID 116725958
N-ethyl-2,2-dimethyl-1-(1-methylpyrazol-4-yl)butan-1-amine
CID 115808764
N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-2,2-dimethyl-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 167929138
2-methyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-1-amine
CID 114246305
2-(azepan-1-yl)-N-ethyl-2-methyl-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 79051106
N-[2-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 65200711

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine?
The IUPAC name of 2,2-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine (CID 43497251) is 2,2-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 2,2-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine?
The canonical SMILES for 2,2-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine is CCCNC(c1cnn(C)c1)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine?
The InChIKey is LXWPWXLWZUYMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-6-7-13-11(12(2,3)4)10-8-14-15(5)9-10/h8-9,11,13H,6-7H2,1-5H3.
What are the key properties of 2,2-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine?
2,2-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine has a molecular weight of 209.34 g/mol, XLogP of 2.51, 4 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-methylpyrazol-4-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 43497251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).