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

C7H12ClN3 — CID 6485346

IUPAC3-(4-chloro-3-methylpyrazol-1-yl)propan-1-amine
SMILESCc1nn(CCCN)cc1Cl
InChIInChI=1S/C7H12ClN3/c1-6-7(8)5-11(10-6)4-2-3-9/h5H,2-4,9H2,1H3
InChIKeyVZTNIZFBAXFCAP-UHFFFAOYSA-N
MW173.65 g/mol
LogP1.19
Rot. Bonds3

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

3-(4-chloro-3-methylpyrazol-1-yl)propan-1-amine (PubChem CID 6485346) has the molecular formula C7H12ClN3 and a molecular weight of 173.65 g/mol. Its IUPAC name is 3-(4-chloro-3-methylpyrazol-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-chloro-3-methylpyrazol-1-yl)propan-1-amine
PubChem CID6485346
Molecular FormulaC7H12ClN3
Molecular Weight173.65 g/mol
Exact Mass173.07
IUPAC Name3-(4-chloro-3-methylpyrazol-1-yl)propan-1-amine
SMILESCc1nn(CCCN)cc1Cl
InChIInChI=1S/C7H12ClN3/c1-6-7(8)5-11(10-6)4-2-3-9/h5H,2-4,9H2,1H3
InChIKeyVZTNIZFBAXFCAP-UHFFFAOYSA-N
XLogP1.19
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.65
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-methylpyrazol-1-yl)propan-1-amine?
The IUPAC name of 3-(4-chloro-3-methylpyrazol-1-yl)propan-1-amine (CID 6485346) is 3-(4-chloro-3-methylpyrazol-1-yl)propan-1-amine.
What is the SMILES notation for 3-(4-chloro-3-methylpyrazol-1-yl)propan-1-amine?
The canonical SMILES for 3-(4-chloro-3-methylpyrazol-1-yl)propan-1-amine is Cc1nn(CCCN)cc1Cl.
What is the InChIKey of 3-(4-chloro-3-methylpyrazol-1-yl)propan-1-amine?
The InChIKey is VZTNIZFBAXFCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClN3/c1-6-7(8)5-11(10-6)4-2-3-9/h5H,2-4,9H2,1H3.
What are the key properties of 3-(4-chloro-3-methylpyrazol-1-yl)propan-1-amine?
3-(4-chloro-3-methylpyrazol-1-yl)propan-1-amine has a molecular weight of 173.65 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-methylpyrazol-1-yl)propan-1-amine is sourced from PubChem (CID 6485346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).