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

C12H22N4 — CID 62977038

IUPACN'-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine
SMILESCCn1cc(CNCCN(C)C2CC2)cn1
InChIInChI=1S/C12H22N4/c1-3-16-10-11(9-14-16)8-13-6-7-15(2)12-4-5-12/h9-10,12-13H,3-8H2,1-2H3
InChIKeyPYPLSWXPNAWXHE-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.09
Rot. Bonds7

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

N'-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine (PubChem CID 62977038) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N'-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine
PubChem CID62977038
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN'-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine
SMILESCCn1cc(CNCCN(C)C2CC2)cn1
InChIInChI=1S/C12H22N4/c1-3-16-10-11(9-14-16)8-13-6-7-15(2)12-4-5-12/h9-10,12-13H,3-8H2,1-2H3
InChIKeyPYPLSWXPNAWXHE-UHFFFAOYSA-N
XLogP1.09
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine (CID 62977038) is N'-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine is CCn1cc(CNCCN(C)C2CC2)cn1.
What is the InChIKey of N'-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine?
The InChIKey is PYPLSWXPNAWXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-3-16-10-11(9-14-16)8-13-6-7-15(2)12-4-5-12/h9-10,12-13H,3-8H2,1-2H3.
What are the key properties of N'-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine?
N'-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine has a molecular weight of 222.34 g/mol, XLogP of 1.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62977038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).