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

C7H13N3 — CID 4715092

IUPAC3-(4-methylpyrazol-1-yl)propan-1-amine
SMILESCc1cnn(CCCN)c1
InChIInChI=1S/C7H13N3/c1-7-5-9-10(6-7)4-2-3-8/h5-6H,2-4,8H2,1H3
InChIKeySRHIOMAWWIRJCB-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.54
Rot. Bonds3

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

3-(4-methylpyrazol-1-yl)propan-1-amine (PubChem CID 4715092) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 3-(4-methylpyrazol-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-methylpyrazol-1-yl)propan-1-amine
PubChem CID4715092
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name3-(4-methylpyrazol-1-yl)propan-1-amine
SMILESCc1cnn(CCCN)c1
InChIInChI=1S/C7H13N3/c1-7-5-9-10(6-7)4-2-3-8/h5-6H,2-4,8H2,1H3
InChIKeySRHIOMAWWIRJCB-UHFFFAOYSA-N
XLogP0.54
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 ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpyrazol-1-yl)propan-1-amine?
The IUPAC name of 3-(4-methylpyrazol-1-yl)propan-1-amine (CID 4715092) is 3-(4-methylpyrazol-1-yl)propan-1-amine.
What is the SMILES notation for 3-(4-methylpyrazol-1-yl)propan-1-amine?
The canonical SMILES for 3-(4-methylpyrazol-1-yl)propan-1-amine is Cc1cnn(CCCN)c1.
What is the InChIKey of 3-(4-methylpyrazol-1-yl)propan-1-amine?
The InChIKey is SRHIOMAWWIRJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-7-5-9-10(6-7)4-2-3-8/h5-6H,2-4,8H2,1H3.
What are the key properties of 3-(4-methylpyrazol-1-yl)propan-1-amine?
3-(4-methylpyrazol-1-yl)propan-1-amine has a molecular weight of 139.20 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpyrazol-1-yl)propan-1-amine is sourced from PubChem (CID 4715092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).