3,5-dimethyl-1-propylpyrazol-4-amine;hydrochloride

C8H16ClN3 — CID 50944289

IUPAC3,5-dimethyl-1-propylpyrazol-4-amine;hydrochloride
SMILESCCCn1nc(C)c(N)c1C.Cl
InChIInChI=1S/C8H15N3.ClH/c1-4-5-11-7(3)8(9)6(2)10-11;/h4-5,9H2,1-3H3;1H
InChIKeyBYCYZENIRLSGAB-UHFFFAOYSA-N
MW189.69 g/mol
LogP1.91
Rot. Bonds2

About 3,5-dimethyl-1-propylpyrazol-4-amine;hydrochloride

3,5-dimethyl-1-propylpyrazol-4-amine;hydrochloride (PubChem CID 50944289) has the molecular formula C8H16ClN3 and a molecular weight of 189.69 g/mol. Its IUPAC name is 3,5-dimethyl-1-propylpyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name3,5-dimethyl-1-propylpyrazol-4-amine;hydrochloride
PubChem CID50944289
Molecular FormulaC8H16ClN3
Molecular Weight189.69 g/mol
Exact Mass189.10
IUPAC Name3,5-dimethyl-1-propylpyrazol-4-amine;hydrochloride
SMILESCCCn1nc(C)c(N)c1C.Cl
InChIInChI=1S/C8H15N3.ClH/c1-4-5-11-7(3)8(9)6(2)10-11;/h4-5,9H2,1-3H3;1H
InChIKeyBYCYZENIRLSGAB-UHFFFAOYSA-N
XLogP1.91
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-amine;hydrochloride
CID 51051927
3,5-dimethyl-1-pent-4-enylpyrazol-4-amine
CID 165471853
5-(azetidin-1-yl)-3-methyl-1-propylpyrazol-4-amine
CID 130546598
2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]-2-methylpropan-1-ol
CID 66029551
5-(azocan-1-yl)-3-methyl-1-propylpyrazol-4-amine
CID 66028751
3,5-dimethyl-1-(2-pyridin-4-ylethyl)pyrazol-4-amine
CID 60892840
2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(4-propylpiperazin-1-yl)ethanone
CID 43445180
3-methyl-5-(2-methylpropylsulfanyl)-1-propylpyrazol-4-amine
CID 66028469
3-methyl-5-N-(2-methylbutan-2-yl)-1-propylpyrazole-4,5-diamine
CID 66027987
1-(3-cyclobutylpropyl)-3,5-dimethylpyrazol-4-amine
CID 165472719
3,5-dimethyl-1-pentan-3-ylpyrazol-4-amine
CID 61272477
3,5-dimethyl-1-propylpyrazole-4-carbaldehyde
CID 6486756

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-propylpyrazol-4-amine;hydrochloride?
The IUPAC name of 3,5-dimethyl-1-propylpyrazol-4-amine;hydrochloride (CID 50944289) is 3,5-dimethyl-1-propylpyrazol-4-amine;hydrochloride.
What is the SMILES notation for 3,5-dimethyl-1-propylpyrazol-4-amine;hydrochloride?
The canonical SMILES for 3,5-dimethyl-1-propylpyrazol-4-amine;hydrochloride is CCCn1nc(C)c(N)c1C.Cl.
What is the InChIKey of 3,5-dimethyl-1-propylpyrazol-4-amine;hydrochloride?
The InChIKey is BYCYZENIRLSGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3.ClH/c1-4-5-11-7(3)8(9)6(2)10-11;/h4-5,9H2,1-3H3;1H.
What are the key properties of 3,5-dimethyl-1-propylpyrazol-4-amine;hydrochloride?
3,5-dimethyl-1-propylpyrazol-4-amine;hydrochloride has a molecular weight of 189.69 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-propylpyrazol-4-amine;hydrochloride is sourced from PubChem (CID 50944289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).