1-(4-chloro-1H-pyrazol-5-yl)propan-2-amine;hydrochloride

C6H11Cl2N3 — CID 170893702

IUPAC1-(4-chloro-1H-pyrazol-5-yl)propan-2-amine;hydrochloride
SMILESCC(N)Cc1[nH]ncc1Cl.Cl
InChIInChI=1S/C6H10ClN3.ClH/c1-4(8)2-6-5(7)3-9-10-6;/h3-4H,2,8H2,1H3,(H,9,10);1H
InChIKeyYFGDQNQBPPPQHC-UHFFFAOYSA-N
MW196.08 g/mol
LogP1.37
Rot. Bonds2

About 1-(4-chloro-1H-pyrazol-5-yl)propan-2-amine;hydrochloride

1-(4-chloro-1H-pyrazol-5-yl)propan-2-amine;hydrochloride (PubChem CID 170893702) has the molecular formula C6H11Cl2N3 and a molecular weight of 196.08 g/mol. Its IUPAC name is 1-(4-chloro-1H-pyrazol-5-yl)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(4-chloro-1H-pyrazol-5-yl)propan-2-amine;hydrochloride
PubChem CID170893702
Molecular FormulaC6H11Cl2N3
Molecular Weight196.08 g/mol
Exact Mass195.03
IUPAC Name1-(4-chloro-1H-pyrazol-5-yl)propan-2-amine;hydrochloride
SMILESCC(N)Cc1[nH]ncc1Cl.Cl
InChIInChI=1S/C6H10ClN3.ClH/c1-4(8)2-6-5(7)3-9-10-6;/h3-4H,2,8H2,1H3,(H,9,10);1H
InChIKeyYFGDQNQBPPPQHC-UHFFFAOYSA-N
XLogP1.37
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.08
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 176927046
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1-(3-bromo-4-methyl-1H-pyrazol-5-yl)propan-2-amine
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1-(2,4,5-trichlorophenyl)propan-2-amine;hydrochloride
CID 3041172
4-methyl-5-(2-methylpropyl)-1H-pyrazole
CID 3805989
1-(1,4-dihydroimidazo[4,5-d]pyrazol-5-yl)propan-2-amine
CID 136922884
(2R)-1-(5-fluoro-2H-indazol-3-yl)propan-2-amine
CID 92670275
1-(3-chloro-1H-indol-2-yl)propan-2-amine;hydrochloride
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(2R)-1-(1H-indazol-5-yl)propan-2-amine
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1-(7-methyl-2H-indazol-3-yl)propan-2-amine
CID 83907203

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1H-pyrazol-5-yl)propan-2-amine;hydrochloride?
The IUPAC name of 1-(4-chloro-1H-pyrazol-5-yl)propan-2-amine;hydrochloride (CID 170893702) is 1-(4-chloro-1H-pyrazol-5-yl)propan-2-amine;hydrochloride.
What is the SMILES notation for 1-(4-chloro-1H-pyrazol-5-yl)propan-2-amine;hydrochloride?
The canonical SMILES for 1-(4-chloro-1H-pyrazol-5-yl)propan-2-amine;hydrochloride is CC(N)Cc1[nH]ncc1Cl.Cl.
What is the InChIKey of 1-(4-chloro-1H-pyrazol-5-yl)propan-2-amine;hydrochloride?
The InChIKey is YFGDQNQBPPPQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClN3.ClH/c1-4(8)2-6-5(7)3-9-10-6;/h3-4H,2,8H2,1H3,(H,9,10);1H.
What are the key properties of 1-(4-chloro-1H-pyrazol-5-yl)propan-2-amine;hydrochloride?
1-(4-chloro-1H-pyrazol-5-yl)propan-2-amine;hydrochloride has a molecular weight of 196.08 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1H-pyrazol-5-yl)propan-2-amine;hydrochloride is sourced from PubChem (CID 170893702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).