1-(1-methylpyrazol-4-yl)propan-1-amine

C7H13N3 — CID 23005813

IUPAC1-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCCC(N)c1cnn(C)c1
InChIInChI=1S/C7H13N3/c1-3-7(8)6-4-9-10(2)5-6/h4-5,7H,3,8H2,1-2H3
InChIKeyVVWSKQUHMPDXEV-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.83
Rot. Bonds2

About 1-(1-methylpyrazol-4-yl)propan-1-amine

1-(1-methylpyrazol-4-yl)propan-1-amine (PubChem CID 23005813) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)propan-1-amine
PubChem CID23005813
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name1-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCCC(N)c1cnn(C)c1
InChIInChI=1S/C7H13N3/c1-3-7(8)6-4-9-10(2)5-6/h4-5,7H,3,8H2,1-2H3
InChIKeyVVWSKQUHMPDXEV-UHFFFAOYSA-N
XLogP0.83
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-(pyrrolidin-2-yl)-1H-pyrazole
CID 25248267
1-(1-methyl-1H-pyrazol-4-yl)ethane-1,2-diamine
CID 43519509
2-(1-methyl-1H-pyrazol-4-yl)piperidine
CID 63085164
rac-(1R,2S)-2-(1-methyl-1H-pyrazol-4-yl)cyclopropan-1-amine dihydrochloride
CID 91647633
rac-((1R,2R)-2-(1-methyl-1H-pyrazol-4-yl)cyclopropyl)methanamine dihydrochloride
CID 129841821
4-(1-ethyl-1H-pyrazol-4-yl)piperidine
CID 50987960
1-(1,3-dimethyl-1H-pyrazol-4-yl)propan-2-amine
CID 19585896
1-(1-methyl-1H-pyrazol-4-yl)ethan-1-amine
CID 23005782
methyl(1-(1-methyl-1H-pyrazol-4-yl)ethyl)amine
CID 23005793
2-(1-Methyl-1H-pyrazol-4-yl)ethan-1-amine
CID 23005857
2,2,2-trifluoro-1-(1-methyl-1H-pyrazol-4-yl)ethan-1-amine
CID 43124155
2-methyl-1-(1-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 43124222

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 1-(1-methylpyrazol-4-yl)propan-1-amine (CID 23005813) is 1-(1-methylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)propan-1-amine is CCC(N)c1cnn(C)c1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)propan-1-amine?
The InChIKey is VVWSKQUHMPDXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-3-7(8)6-4-9-10(2)5-6/h4-5,7H,3,8H2,1-2H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)propan-1-amine?
1-(1-methylpyrazol-4-yl)propan-1-amine has a molecular weight of 139.20 g/mol, XLogP of 0.83, 2 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)propan-1-amine is sourced from PubChem (CID 23005813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).