N,N-dimethyl-N'-[2-(3-methylphenyl)-3,4-dihydropyrazol-5-yl]methanimidamide

C13H18N4 — CID 2861676

IUPACN,N-dimethyl-N'-[2-(3-methylphenyl)-3,4-dihydropyrazol-5-yl]methanimidamide
SMILESCc1cccc(N2CCC(/N=C/N(C)C)=N2)c1
InChIInChI=1S/C13H18N4/c1-11-5-4-6-12(9-11)17-8-7-13(15-17)14-10-16(2)3/h4-6,9-10H,7-8H2,1-3H3/b14-10+
InChIKeyWNLWQXPSPUDQGA-GXDHUFHOSA-N
MW230.31 g/mol
LogP2.11
Rot. Bonds2

About N,N-dimethyl-N'-[2-(3-methylphenyl)-3,4-dihydropyrazol-5-yl]methanimidamide

N,N-dimethyl-N'-[2-(3-methylphenyl)-3,4-dihydropyrazol-5-yl]methanimidamide (PubChem CID 2861676) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is N,N-dimethyl-N'-[2-(3-methylphenyl)-3,4-dihydropyrazol-5-yl]methanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-[2-(3-methylphenyl)-3,4-dihydropyrazol-5-yl]methanimidamide
PubChem CID2861676
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC NameN,N-dimethyl-N'-[2-(3-methylphenyl)-3,4-dihydropyrazol-5-yl]methanimidamide
SMILESCc1cccc(N2CCC(/N=C/N(C)C)=N2)c1
InChIInChI=1S/C13H18N4/c1-11-5-4-6-12(9-11)17-8-7-13(15-17)14-10-16(2)3/h4-6,9-10H,7-8H2,1-3H3/b14-10+
InChIKeyWNLWQXPSPUDQGA-GXDHUFHOSA-N
XLogP2.11
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_imine_C(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-[2-(3-methylphenyl)-3,4-dihydropyrazol-5-yl]methanimidamide?
The IUPAC name of N,N-dimethyl-N'-[2-(3-methylphenyl)-3,4-dihydropyrazol-5-yl]methanimidamide (CID 2861676) is N,N-dimethyl-N'-[2-(3-methylphenyl)-3,4-dihydropyrazol-5-yl]methanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-[2-(3-methylphenyl)-3,4-dihydropyrazol-5-yl]methanimidamide?
The canonical SMILES for N,N-dimethyl-N'-[2-(3-methylphenyl)-3,4-dihydropyrazol-5-yl]methanimidamide is Cc1cccc(N2CCC(/N=C/N(C)C)=N2)c1.
What is the InChIKey of N,N-dimethyl-N'-[2-(3-methylphenyl)-3,4-dihydropyrazol-5-yl]methanimidamide?
The InChIKey is WNLWQXPSPUDQGA-GXDHUFHOSA-N. The full InChI is InChI=1S/C13H18N4/c1-11-5-4-6-12(9-11)17-8-7-13(15-17)14-10-16(2)3/h4-6,9-10H,7-8H2,1-3H3/b14-10+.
What are the key properties of N,N-dimethyl-N'-[2-(3-methylphenyl)-3,4-dihydropyrazol-5-yl]methanimidamide?
N,N-dimethyl-N'-[2-(3-methylphenyl)-3,4-dihydropyrazol-5-yl]methanimidamide has a molecular weight of 230.31 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-[2-(3-methylphenyl)-3,4-dihydropyrazol-5-yl]methanimidamide is sourced from PubChem (CID 2861676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).