N,3,5-trimethyl-1H-pyrazol-4-amine;hydrochloride

C6H12ClN3 — CID 56773738

IUPACN,3,5-trimethyl-1H-pyrazol-4-amine;hydrochloride
SMILESCNc1c(C)n[nH]c1C.Cl
InChIInChI=1S/C6H11N3.ClH/c1-4-6(7-3)5(2)9-8-4;/h7H,1-3H3,(H,8,9);1H
InChIKeyUPTMVPWHTOPWBM-UHFFFAOYSA-N
MW161.64 g/mol
LogP1.49
Rot. Bonds1

About N,3,5-trimethyl-1H-pyrazol-4-amine;hydrochloride

N,3,5-trimethyl-1H-pyrazol-4-amine;hydrochloride (PubChem CID 56773738) has the molecular formula C6H12ClN3 and a molecular weight of 161.64 g/mol. Its IUPAC name is N,3,5-trimethyl-1H-pyrazol-4-amine;hydrochloride.

Molecular Properties

Compound NameN,3,5-trimethyl-1H-pyrazol-4-amine;hydrochloride
PubChem CID56773738
Molecular FormulaC6H12ClN3
Molecular Weight161.64 g/mol
Exact Mass161.07
IUPAC NameN,3,5-trimethyl-1H-pyrazol-4-amine;hydrochloride
SMILESCNc1c(C)n[nH]c1C.Cl
InChIInChI=1S/C6H11N3.ClH/c1-4-6(7-3)5(2)9-8-4;/h7H,1-3H3,(H,8,9);1H
InChIKeyUPTMVPWHTOPWBM-UHFFFAOYSA-N
XLogP1.49
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.64
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-N-propyl-1H-pyrazol-4-amine
CID 43547244
3,5-dimethyl-N-(2-methylpropyl)-1H-pyrazol-4-amine
CID 43547378
N-butyl-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547243
N'-tert-butyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)ethane-1,2-diamine
CID 107444839
N-(1,1-difluoropropan-2-yl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 102868265
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582921
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-hydroxypropanamide
CID 126991153
N,5-dimethyl-3-pyridin-4-yl-1H-pyrazol-4-amine
CID 116827006
2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 43547720
1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-ethylthiourea
CID 5270685
N-(2-adamantyl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 43621714
1-tert-butyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea
CID 43547022

Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-1H-pyrazol-4-amine;hydrochloride?
The IUPAC name of N,3,5-trimethyl-1H-pyrazol-4-amine;hydrochloride (CID 56773738) is N,3,5-trimethyl-1H-pyrazol-4-amine;hydrochloride.
What is the SMILES notation for N,3,5-trimethyl-1H-pyrazol-4-amine;hydrochloride?
The canonical SMILES for N,3,5-trimethyl-1H-pyrazol-4-amine;hydrochloride is CNc1c(C)n[nH]c1C.Cl.
What is the InChIKey of N,3,5-trimethyl-1H-pyrazol-4-amine;hydrochloride?
The InChIKey is UPTMVPWHTOPWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3.ClH/c1-4-6(7-3)5(2)9-8-4;/h7H,1-3H3,(H,8,9);1H.
What are the key properties of N,3,5-trimethyl-1H-pyrazol-4-amine;hydrochloride?
N,3,5-trimethyl-1H-pyrazol-4-amine;hydrochloride has a molecular weight of 161.64 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-1H-pyrazol-4-amine;hydrochloride is sourced from PubChem (CID 56773738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).