1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine

C10H19N3 — CID 43497248

IUPAC1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
SMILESCCCNC(CC)c1cnn(C)c1
InChIInChI=1S/C10H19N3/c1-4-6-11-10(5-2)9-7-12-13(3)8-9/h7-8,10-11H,4-6H2,1-3H3
InChIKeyLSSRWTXHXQFHJX-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.87
Rot. Bonds5

About 1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine

1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine (PubChem CID 43497248) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
PubChem CID43497248
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
SMILESCCCNC(CC)c1cnn(C)c1
InChIInChI=1S/C10H19N3/c1-4-6-11-10(5-2)9-7-12-13(3)8-9/h7-8,10-11H,4-6H2,1-3H3
InChIKeyLSSRWTXHXQFHJX-UHFFFAOYSA-N
XLogP1.87
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3,3-trifluoro-N-[1-(1-methylpyrazol-4-yl)propyl]propan-1-amine
CID 115727211
4,4-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylpentan-1-amine
CID 65200553
N-[2-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 65200711
N-[1-(1-methylpyrazol-4-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 62551417
N-[1-(1-methylpyrazol-4-yl)propyl]pentan-3-amine
CID 115704994
N-[2-(4-chlorophenyl)-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 43497238
N-[2-(3,4-dimethylphenyl)-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 62902240
2,2-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 43497251
1-[1-(cyclopentylmethyl)pyrazol-4-yl]-N-propylpropan-1-amine
CID 62730353
3-(2,2-difluoroethoxy)-1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 103149818
N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 43497243
1-[1-(3,5-dimethylcyclohexyl)pyrazol-4-yl]-N-propylpropan-1-amine
CID 64730349

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine (CID 43497248) is 1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine is CCCNC(CC)c1cnn(C)c1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine?
The InChIKey is LSSRWTXHXQFHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-4-6-11-10(5-2)9-7-12-13(3)8-9/h7-8,10-11H,4-6H2,1-3H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine?
1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine has a molecular weight of 181.28 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 43497248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).