5-methyl-N,1-bis(2-methylpropyl)pyrazol-3-amine;hydrochloride

C12H24ClN3 — CID 126965647

IUPAC5-methyl-N,1-bis(2-methylpropyl)pyrazol-3-amine;hydrochloride
SMILESCc1cc(NCC(C)C)nn1CC(C)C.Cl
InChIInChI=1S/C12H23N3.ClH/c1-9(2)7-13-12-6-11(5)15(14-12)8-10(3)4;/h6,9-10H,7-8H2,1-5H3,(H,13,14);1H
InChIKeyZPUADMCVTAWSSZ-UHFFFAOYSA-N
MW245.80 g/mol
LogP3.34
Rot. Bonds5

About 5-methyl-N,1-bis(2-methylpropyl)pyrazol-3-amine;hydrochloride

5-methyl-N,1-bis(2-methylpropyl)pyrazol-3-amine;hydrochloride (PubChem CID 126965647) has the molecular formula C12H24ClN3 and a molecular weight of 245.80 g/mol. Its IUPAC name is 5-methyl-N,1-bis(2-methylpropyl)pyrazol-3-amine;hydrochloride.

Molecular Properties

Compound Name5-methyl-N,1-bis(2-methylpropyl)pyrazol-3-amine;hydrochloride
PubChem CID126965647
Molecular FormulaC12H24ClN3
Molecular Weight245.80 g/mol
Exact Mass245.17
IUPAC Name5-methyl-N,1-bis(2-methylpropyl)pyrazol-3-amine;hydrochloride
SMILESCc1cc(NCC(C)C)nn1CC(C)C.Cl
InChIInChI=1S/C12H23N3.ClH/c1-9(2)7-13-12-6-11(5)15(14-12)8-10(3)4;/h6,9-10H,7-8H2,1-5H3,(H,13,14);1H
InChIKeyZPUADMCVTAWSSZ-UHFFFAOYSA-N
XLogP3.34
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.80
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-(3-methylbutyl)-1-(2-methylpropyl)pyrazol-3-amine;hydrochloride
CID 126967121
N-butyl-5-methyl-1-(2-methylpropyl)pyrazol-3-amine
CID 122168926
2-[[[5-methyl-1-(2-methylpropyl)pyrazol-3-yl]amino]methyl]phenol;hydrochloride
CID 126965295
5-methyl-1-(2-methylpropyl)-3-propan-2-ylpyrazole
CID 178050223
N-[(3-fluorophenyl)methyl]-5-methyl-1-(2-methylpropyl)pyrazol-3-amine
CID 122168375
5-methyl-N-(2-methylpropyl)-1,2-oxazol-3-amine
CID 59569080
3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62447780
1-butyl-5-methyl-N-(2-phenylpropyl)pyrazol-3-amine
CID 19626837
(2R)-1-N-(1,5-dimethylpyrazol-3-yl)-3-methylbutane-1,2-diamine
CID 130523879
5,7-dimethyl-N-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 66490765
[4-methyl-6-(2-methylpropylamino)pyrimidin-2-yl]methanol
CID 130917983
4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine
CID 80770441

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N,1-bis(2-methylpropyl)pyrazol-3-amine;hydrochloride?
The IUPAC name of 5-methyl-N,1-bis(2-methylpropyl)pyrazol-3-amine;hydrochloride (CID 126965647) is 5-methyl-N,1-bis(2-methylpropyl)pyrazol-3-amine;hydrochloride.
What is the SMILES notation for 5-methyl-N,1-bis(2-methylpropyl)pyrazol-3-amine;hydrochloride?
The canonical SMILES for 5-methyl-N,1-bis(2-methylpropyl)pyrazol-3-amine;hydrochloride is Cc1cc(NCC(C)C)nn1CC(C)C.Cl.
What is the InChIKey of 5-methyl-N,1-bis(2-methylpropyl)pyrazol-3-amine;hydrochloride?
The InChIKey is ZPUADMCVTAWSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3.ClH/c1-9(2)7-13-12-6-11(5)15(14-12)8-10(3)4;/h6,9-10H,7-8H2,1-5H3,(H,13,14);1H.
What are the key properties of 5-methyl-N,1-bis(2-methylpropyl)pyrazol-3-amine;hydrochloride?
5-methyl-N,1-bis(2-methylpropyl)pyrazol-3-amine;hydrochloride has a molecular weight of 245.80 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N,1-bis(2-methylpropyl)pyrazol-3-amine;hydrochloride is sourced from PubChem (CID 126965647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).