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

C6H12ClN3 — CID 53400808

IUPAC5-propan-2-yl-1H-pyrazol-3-amine;hydrochloride
SMILESCC(C)c1cc(N)n[nH]1.Cl
InChIInChI=1S/C6H11N3.ClH/c1-4(2)5-3-6(7)9-8-5;/h3-4H,1-2H3,(H3,7,8,9);1H
InChIKeyJHGOPXUCCFVTPD-UHFFFAOYSA-N
MW161.64 g/mol
LogP1.54
Rot. Bonds1

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

5-propan-2-yl-1H-pyrazol-3-amine;hydrochloride (PubChem CID 53400808) has the molecular formula C6H12ClN3 and a molecular weight of 161.64 g/mol. Its IUPAC name is 5-propan-2-yl-1H-pyrazol-3-amine;hydrochloride.

Molecular Properties

Compound Name5-propan-2-yl-1H-pyrazol-3-amine;hydrochloride
PubChem CID53400808
Molecular FormulaC6H12ClN3
Molecular Weight161.64 g/mol
Exact Mass161.07
IUPAC Name5-propan-2-yl-1H-pyrazol-3-amine;hydrochloride
SMILESCC(C)c1cc(N)n[nH]1.Cl
InChIInChI=1S/C6H11N3.ClH/c1-4(2)5-3-6(7)9-8-5;/h3-4H,1-2H3,(H3,7,8,9);1H
InChIKeyJHGOPXUCCFVTPD-UHFFFAOYSA-N
XLogP1.54
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.64
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 522787
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3-ethyl-4-methyl-1H-pyrazol-5-amine
CID 3134941
3,5-Diisopropylpyrazole
CID 5255229
3-ethyl-1H-pyrazol-5-amine
CID 21991095
3-(propan-2-yl)-1H-pyrazol-5-amine
CID 2769527
5-Propyl-1H-pyrazol-3-amine
CID 22265684
3(5)-Methyl-5(3)-t-butylpyrazole
CID 145296
3-cyclopropyl-1H-pyrazol-5-amine
CID 2758014
3-butyl-1H-pyrazol-5-amine
CID 12209635
5-Cyclohexyl-1H-pyrazol-3-amine
CID 12831625
3,4-Diethyl-1H-pyrazol-5-amine
CID 19002169

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1H-pyrazol-3-amine;hydrochloride?
The IUPAC name of 5-propan-2-yl-1H-pyrazol-3-amine;hydrochloride (CID 53400808) is 5-propan-2-yl-1H-pyrazol-3-amine;hydrochloride.
What is the SMILES notation for 5-propan-2-yl-1H-pyrazol-3-amine;hydrochloride?
The canonical SMILES for 5-propan-2-yl-1H-pyrazol-3-amine;hydrochloride is CC(C)c1cc(N)n[nH]1.Cl.
What is the InChIKey of 5-propan-2-yl-1H-pyrazol-3-amine;hydrochloride?
The InChIKey is JHGOPXUCCFVTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3.ClH/c1-4(2)5-3-6(7)9-8-5;/h3-4H,1-2H3,(H3,7,8,9);1H.
What are the key properties of 5-propan-2-yl-1H-pyrazol-3-amine;hydrochloride?
5-propan-2-yl-1H-pyrazol-3-amine;hydrochloride has a molecular weight of 161.64 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1H-pyrazol-3-amine;hydrochloride is sourced from PubChem (CID 53400808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).