1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine;hydrochloride

C7H14ClN3 — CID 170893704

IUPAC1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine;hydrochloride
SMILESCc1cc(CC(C)N)n[nH]1.Cl
InChIInChI=1S/C7H13N3.ClH/c1-5(8)3-7-4-6(2)9-10-7;/h4-5H,3,8H2,1-2H3,(H,9,10);1H
InChIKeyJDIIHRWKCRNANV-UHFFFAOYSA-N
MW175.66 g/mol
LogP1.03
Rot. Bonds2

About 1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine;hydrochloride

1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine;hydrochloride (PubChem CID 170893704) has the molecular formula C7H14ClN3 and a molecular weight of 175.66 g/mol. Its IUPAC name is 1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine;hydrochloride
PubChem CID170893704
Molecular FormulaC7H14ClN3
Molecular Weight175.66 g/mol
Exact Mass175.09
IUPAC Name1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine;hydrochloride
SMILESCc1cc(CC(C)N)n[nH]1.Cl
InChIInChI=1S/C7H13N3.ClH/c1-5(8)3-7-4-6(2)9-10-7;/h4-5H,3,8H2,1-2H3,(H,9,10);1H
InChIKeyJDIIHRWKCRNANV-UHFFFAOYSA-N
XLogP1.03
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.66
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine;hydrochloride?
The IUPAC name of 1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine;hydrochloride (CID 170893704) is 1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine;hydrochloride.
What is the SMILES notation for 1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine;hydrochloride?
The canonical SMILES for 1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine;hydrochloride is Cc1cc(CC(C)N)n[nH]1.Cl.
What is the InChIKey of 1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine;hydrochloride?
The InChIKey is JDIIHRWKCRNANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3.ClH/c1-5(8)3-7-4-6(2)9-10-7;/h4-5H,3,8H2,1-2H3,(H,9,10);1H.
What are the key properties of 1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine;hydrochloride?
1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine;hydrochloride has a molecular weight of 175.66 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine;hydrochloride is sourced from PubChem (CID 170893704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).