N',2-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enimidamide

C9H14N4 — CID 145169743

IUPACN',2-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enimidamide
SMILESC=C(C)/C(=N\C)Nc1cc(C)[nH]n1
InChIInChI=1S/C9H14N4/c1-6(2)9(10-4)11-8-5-7(3)12-13-8/h5H,1H2,2-4H3,(H2,10,11,12,13)
InChIKeyCKRBBXUESAQVHL-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.73
Rot. Bonds2

About N',2-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enimidamide

N',2-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enimidamide (PubChem CID 145169743) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is N',2-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enimidamide.

Molecular Properties

Compound NameN',2-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enimidamide
PubChem CID145169743
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC NameN',2-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enimidamide
SMILESC=C(C)/C(=N\C)Nc1cc(C)[nH]n1
InChIInChI=1S/C9H14N4/c1-6(2)9(10-4)11-8-5-7(3)12-13-8/h5H,1H2,2-4H3,(H2,10,11,12,13)
InChIKeyCKRBBXUESAQVHL-UHFFFAOYSA-N
XLogP1.73
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N',2-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-tert-Butyl-3-methyl-1H-pyrazol-5-amine
CID 737200
(E)-3-(5-amino-3-methylpyrazol-1-yl)but-2-enenitrile
CID 854933
Guanidine, 1-tert-butyl-2-cyano-3-(1-ethyl-3-methyl-5-pyrazolyl)-
CID 3050769
N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 5246311
1-(5-methyl-1H-pyrazol-3-yl)piperazine
CID 62548256
3-Methacroylamino-5-methylpyrazole
CID 15312519
N-ethyl-5-methyl-1H-pyrazol-3-amine
CID 45092829
Ethyl-(5-trifluoromethyl-2H-pyrazol-3-yl)-amine
CID 56965660
N-isopropyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 56965643
N,N-dipropyl-5-(trifluoromethyl)-1H-pyrazol-3-amine
CID 71062423
6-chloro-5-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)amino]-1H-pyrimidine-2-thione
CID 89006256
N-butyl-N'-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanediamine
CID 129294383

Frequently Asked Questions

What is the IUPAC name of N',2-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enimidamide?
The IUPAC name of N',2-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enimidamide (CID 145169743) is N',2-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enimidamide.
What is the SMILES notation for N',2-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enimidamide?
The canonical SMILES for N',2-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enimidamide is C=C(C)/C(=N\C)Nc1cc(C)[nH]n1.
What is the InChIKey of N',2-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enimidamide?
The InChIKey is CKRBBXUESAQVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-6(2)9(10-4)11-8-5-7(3)12-13-8/h5H,1H2,2-4H3,(H2,10,11,12,13).
What are the key properties of N',2-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enimidamide?
N',2-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enimidamide has a molecular weight of 178.24 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enimidamide is sourced from PubChem (CID 145169743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).