3-(1-methylpyrazol-4-yl)propan-1-amine

C7H13N3 — CID 47003365

IUPAC3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCn1cc(CCCN)cn1
InChIInChI=1S/C7H13N3/c1-10-6-7(5-9-10)3-2-4-8/h5-6H,2-4,8H2,1H3
InChIKeyUFYZSPYVYKTZCA-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.31
Rot. Bonds3

About 3-(1-methylpyrazol-4-yl)propan-1-amine

3-(1-methylpyrazol-4-yl)propan-1-amine (PubChem CID 47003365) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)propan-1-amine
PubChem CID47003365
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCn1cc(CCCN)cn1
InChIInChI=1S/C7H13N3/c1-10-6-7(5-9-10)3-2-4-8/h5-6H,2-4,8H2,1H3
InChIKeyUFYZSPYVYKTZCA-UHFFFAOYSA-N
XLogP0.31
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[2-(1-methylpyrazol-4-yl)ethyl]-1,4-diazepan-1-yl]propan-1-amine
CID 103000108
3-(1-cyclopropylpyrazol-4-yl)propan-1-amine
CID 84764974
8-amino-1-(1-methylpyrazol-4-yl)octan-3-one
CID 103023487
6-(1-methylpyrazol-4-yl)hexan-3-amine
CID 64506048
2-(1-methylpyrazol-4-yl)ethanol
CID 17028076
1-methyl-4-propylpyrazole;propane
CID 155742221
4-(2-bromoethyl)-1-methylpyrazole
CID 54593836
4-(4-chloropentyl)-1-methylpyrazole
CID 64514682
2-methyl-5-(1-methylpyrazol-4-yl)pentan-2-ol
CID 164967779
3-[1-(1-tert-butylazetidin-3-yl)pyrazol-4-yl]propan-1-amine
CID 105498211
N'-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 62126875
3-[2-(1-methylpyrazol-4-yl)ethylsulfanyl]butan-1-amine
CID 103003171

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 3-(1-methylpyrazol-4-yl)propan-1-amine (CID 47003365) is 3-(1-methylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)propan-1-amine is Cn1cc(CCCN)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)propan-1-amine?
The InChIKey is UFYZSPYVYKTZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-10-6-7(5-9-10)3-2-4-8/h5-6H,2-4,8H2,1H3.
What are the key properties of 3-(1-methylpyrazol-4-yl)propan-1-amine?
3-(1-methylpyrazol-4-yl)propan-1-amine has a molecular weight of 139.20 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 47003365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).