1-(1,3-dimethylpyrazol-4-yl)butan-2-amine;hydrochloride

C9H18ClN3 — CID 170889539

IUPAC1-(1,3-dimethylpyrazol-4-yl)butan-2-amine;hydrochloride
SMILESCCC(N)Cc1cn(C)nc1C.Cl
InChIInChI=1S/C9H17N3.ClH/c1-4-9(10)5-8-6-12(3)11-7(8)2;/h6,9H,4-5,10H2,1-3H3;1H
InChIKeyZRGPVUDIYRVTPF-UHFFFAOYSA-N
MW203.72 g/mol
LogP1.43
Rot. Bonds3

About 1-(1,3-dimethylpyrazol-4-yl)butan-2-amine;hydrochloride

1-(1,3-dimethylpyrazol-4-yl)butan-2-amine;hydrochloride (PubChem CID 170889539) has the molecular formula C9H18ClN3 and a molecular weight of 203.72 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)butan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)butan-2-amine;hydrochloride
PubChem CID170889539
Molecular FormulaC9H18ClN3
Molecular Weight203.72 g/mol
Exact Mass203.12
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)butan-2-amine;hydrochloride
SMILESCCC(N)Cc1cn(C)nc1C.Cl
InChIInChI=1S/C9H17N3.ClH/c1-4-9(10)5-8-6-12(3)11-7(8)2;/h6,9H,4-5,10H2,1-3H3;1H
InChIKeyZRGPVUDIYRVTPF-UHFFFAOYSA-N
XLogP1.43
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.72
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(1,3-dimethylpyrazol-4-yl)propan-2-amine
CID 40599781
1-(1,3-dimethylpyrazol-4-yl)propan-2-amine
CID 19585896
1-(3-ethyl-1-methylpyrazol-4-yl)butan-2-amine
CID 112669719
ethyl 2-amino-3-(1,3-dimethylpyrazol-4-yl)propanoate
CID 66518191
(1,3-dimethylpyrazol-4-yl)methanamine;hydrate;hydrochloride
CID 86812145
4-(3-bromo-2-methylpropyl)-1,3-dimethylpyrazole
CID 127002490
2-(aminomethyl)-3-(1,3-dimethylpyrazol-4-yl)propan-1-ol
CID 83089118
(2S)-3-(1,3-dimethylpyrazol-4-yl)-2-hydroxypropanoic acid
CID 125425002
2-(aminomethyl)-3-(1,3-dimethylpyrazol-4-yl)-N-propylpropanamide
CID 83090697
2-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]butanamide
CID 112668685
N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-2-ethylbutan-1-amine
CID 115757239
2-bromo-1-(1,3-dimethylpyrazol-4-yl)-4,4-dimethylpentan-3-one
CID 102807373

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)butan-2-amine;hydrochloride?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)butan-2-amine;hydrochloride (CID 170889539) is 1-(1,3-dimethylpyrazol-4-yl)butan-2-amine;hydrochloride.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)butan-2-amine;hydrochloride?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)butan-2-amine;hydrochloride is CCC(N)Cc1cn(C)nc1C.Cl.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)butan-2-amine;hydrochloride?
The InChIKey is ZRGPVUDIYRVTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3.ClH/c1-4-9(10)5-8-6-12(3)11-7(8)2;/h6,9H,4-5,10H2,1-3H3;1H.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)butan-2-amine;hydrochloride?
1-(1,3-dimethylpyrazol-4-yl)butan-2-amine;hydrochloride has a molecular weight of 203.72 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)butan-2-amine;hydrochloride is sourced from PubChem (CID 170889539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).