N-butyl-1,3-dimethylpyrazol-4-amine;hydrochloride

C9H18ClN3 — CID 126965542

IUPACN-butyl-1,3-dimethylpyrazol-4-amine;hydrochloride
SMILESCCCCNc1cn(C)nc1C.Cl
InChIInChI=1S/C9H17N3.ClH/c1-4-5-6-10-9-7-12(3)11-8(9)2;/h7,10H,4-6H2,1-3H3;1H
InChIKeyBUKOGLUOKDRTMI-UHFFFAOYSA-N
MW203.72 g/mol
LogP2.36
Rot. Bonds4

About N-butyl-1,3-dimethylpyrazol-4-amine;hydrochloride

N-butyl-1,3-dimethylpyrazol-4-amine;hydrochloride (PubChem CID 126965542) has the molecular formula C9H18ClN3 and a molecular weight of 203.72 g/mol. Its IUPAC name is N-butyl-1,3-dimethylpyrazol-4-amine;hydrochloride.

Molecular Properties

Compound NameN-butyl-1,3-dimethylpyrazol-4-amine;hydrochloride
PubChem CID126965542
Molecular FormulaC9H18ClN3
Molecular Weight203.72 g/mol
Exact Mass203.12
IUPAC NameN-butyl-1,3-dimethylpyrazol-4-amine;hydrochloride
SMILESCCCCNc1cn(C)nc1C.Cl
InChIInChI=1S/C9H17N3.ClH/c1-4-5-6-10-9-7-12(3)11-8(9)2;/h7,10H,4-6H2,1-3H3;1H
InChIKeyBUKOGLUOKDRTMI-UHFFFAOYSA-N
XLogP2.36
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.72
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethylsulfanylpropyl)-1,3-dimethylpyrazol-4-amine
CID 104956490
N-(3-ethylsulfonylpropyl)-1,3-dimethylpyrazol-4-amine
CID 102805295
N-butyl-1-(2-fluoroethyl)-3-methylpyrazol-4-amine
CID 122168973
3-ethyl-1-methyl-N-pentylpyrazol-4-amine
CID 107462468
N-butyl-3-methyl-1-(2-methylpropyl)pyrazol-4-amine
CID 122168927
N-(3-methoxy-3-methylbutyl)-1,3-dimethylpyrazol-4-amine
CID 103033669
N-[2-(3-methoxypropoxy)ethyl]-1,3-dimethylpyrazol-4-amine
CID 103179574
1,3-dimethyl-N-(2-propan-2-ylsulfonylethyl)pyrazol-4-amine
CID 106724603
3-N-butyl-1-methylpyrazole-3,4-diamine
CID 90481031
1,3-dimethyl-N-[(3-propylimidazol-4-yl)methyl]pyrazol-4-amine
CID 102804515
N-(1,3-dimethylpyrazol-4-yl)-2-(propylamino)acetamide
CID 102805551
3-methyl-1-propan-2-yl-N-propylpyrazol-4-amine;hydrochloride
CID 126964438

Frequently Asked Questions

What is the IUPAC name of N-butyl-1,3-dimethylpyrazol-4-amine;hydrochloride?
The IUPAC name of N-butyl-1,3-dimethylpyrazol-4-amine;hydrochloride (CID 126965542) is N-butyl-1,3-dimethylpyrazol-4-amine;hydrochloride.
What is the SMILES notation for N-butyl-1,3-dimethylpyrazol-4-amine;hydrochloride?
The canonical SMILES for N-butyl-1,3-dimethylpyrazol-4-amine;hydrochloride is CCCCNc1cn(C)nc1C.Cl.
What is the InChIKey of N-butyl-1,3-dimethylpyrazol-4-amine;hydrochloride?
The InChIKey is BUKOGLUOKDRTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3.ClH/c1-4-5-6-10-9-7-12(3)11-8(9)2;/h7,10H,4-6H2,1-3H3;1H.
What are the key properties of N-butyl-1,3-dimethylpyrazol-4-amine;hydrochloride?
N-butyl-1,3-dimethylpyrazol-4-amine;hydrochloride has a molecular weight of 203.72 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1,3-dimethylpyrazol-4-amine;hydrochloride is sourced from PubChem (CID 126965542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).