3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine

C7H13N3 — CID 2736943

IUPAC3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine
SMILESCc1[nH]ncc1CCCN
InChIInChI=1S/C7H13N3/c1-6-7(3-2-4-8)5-9-10-6/h5H,2-4,8H2,1H3,(H,9,10)
InChIKeyBYGCQGLHPCERCH-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.61
Rot. Bonds3

About 3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine

3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine (PubChem CID 2736943) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine
PubChem CID2736943
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine
SMILESCc1[nH]ncc1CCCN
InChIInChI=1S/C7H13N3/c1-6-7(3-2-4-8)5-9-10-6/h5H,2-4,8H2,1H3,(H,9,10)
InChIKeyBYGCQGLHPCERCH-UHFFFAOYSA-N
XLogP0.61
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine?
The IUPAC name of 3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine (CID 2736943) is 3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine?
The canonical SMILES for 3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine is Cc1[nH]ncc1CCCN.
What is the InChIKey of 3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine?
The InChIKey is BYGCQGLHPCERCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-6-7(3-2-4-8)5-9-10-6/h5H,2-4,8H2,1H3,(H,9,10).
What are the key properties of 3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine?
3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine has a molecular weight of 139.20 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 2736943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).