N-cyclopropyl-N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine

C12H22N4 — CID 102801488

IUPACN-cyclopropyl-N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine
SMILESCc1nn(C)cc1CN(C)CCNC1CC1
InChIInChI=1S/C12H22N4/c1-10-11(9-16(3)14-10)8-15(2)7-6-13-12-4-5-12/h9,12-13H,4-8H2,1-3H3
InChIKeyOPVCALBIPGDTDX-UHFFFAOYSA-N
MW222.34 g/mol
LogP0.91
Rot. Bonds6

About N-cyclopropyl-N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine

N-cyclopropyl-N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine (PubChem CID 102801488) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N-cyclopropyl-N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine
PubChem CID102801488
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN-cyclopropyl-N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine
SMILESCc1nn(C)cc1CN(C)CCNC1CC1
InChIInChI=1S/C12H22N4/c1-10-11(9-16(3)14-10)8-15(2)7-6-13-12-4-5-12/h9,12-13H,4-8H2,1-3H3
InChIKeyOPVCALBIPGDTDX-UHFFFAOYSA-N
XLogP0.91
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide
CID 22196347
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine
CID 22196210
N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylcycloheptan-1-amine
CID 112668528
N-cyclopropyl-N'-methyl-N'-(naphthalen-1-ylmethyl)ethane-1,2-diamine
CID 55002950
N-cyclopropyl-N'-[(2,5-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 65317346
N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]thiolan-3-amine
CID 115895157
ethyl 4-[(1,3-dimethylpyrazol-4-yl)methylamino]cyclohexane-1-carboxylate
CID 83089059
N-cyclopropyl-N'-[(2,4-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 55002903
N-cyclopropyl-N'-[(2,4-difluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 62195867
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylethanesulfonamide
CID 22771446
N-(cyclopropylmethyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine
CID 83090529
N'-[(2-bromo-5-fluorophenyl)methyl]-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 113409156

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine (CID 102801488) is N-cyclopropyl-N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine is Cc1nn(C)cc1CN(C)CCNC1CC1.
What is the InChIKey of N-cyclopropyl-N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine?
The InChIKey is OPVCALBIPGDTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-10-11(9-16(3)14-10)8-15(2)7-6-13-12-4-5-12/h9,12-13H,4-8H2,1-3H3.
What are the key properties of N-cyclopropyl-N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine?
N-cyclopropyl-N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine has a molecular weight of 222.34 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 102801488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).