1-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine

C12H21N3 — CID 62731910

IUPAC1-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
SMILESCNC(C)c1c(C)nn(CC2CC2)c1C
InChIInChI=1S/C12H21N3/c1-8(13-4)12-9(2)14-15(10(12)3)7-11-5-6-11/h8,11,13H,5-7H2,1-4H3
InChIKeyISFBAFCWLLWPDU-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.19
Rot. Bonds4

About 1-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine

1-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine (PubChem CID 62731910) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
PubChem CID62731910
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
SMILESCNC(C)c1c(C)nn(CC2CC2)c1C
InChIInChI=1S/C12H21N3/c1-8(13-4)12-9(2)14-15(10(12)3)7-11-5-6-11/h8,11,13H,5-7H2,1-4H3
InChIKeyISFBAFCWLLWPDU-UHFFFAOYSA-N
XLogP2.19
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(cyclobutylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
CID 65463065
N-[1-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine
CID 62731006
4-(1-chloroethyl)-1-(cyclopropylmethyl)-3,5-dimethylpyrazole
CID 62731294
1-[1-(cyclohexylmethyl)-3,5-dimethylpyrazol-4-yl]ethanamine
CID 62729112
1-[3,5-dimethyl-1-(oxan-4-ylmethyl)pyrazol-4-yl]ethanol
CID 55108887
1-[1-(2-butoxyethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
CID 62730460
1-[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]ethanol
CID 62729993
1-[1-[2-(3-methoxypropoxy)ethyl]-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
CID 103183818
1-[3,5-dimethyl-1-(oxan-4-ylmethyl)pyrazol-4-yl]-N-propylpropan-1-amine
CID 62731742
3-cyclopentyl-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 103776522
1-[3,5-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]-N-methylethanamine
CID 64771590
1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]-N-methylethanamine
CID 82697256

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine?
The IUPAC name of 1-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine (CID 62731910) is 1-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 1-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine?
The canonical SMILES for 1-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine is CNC(C)c1c(C)nn(CC2CC2)c1C.
What is the InChIKey of 1-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine?
The InChIKey is ISFBAFCWLLWPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-8(13-4)12-9(2)14-15(10(12)3)7-11-5-6-11/h8,11,13H,5-7H2,1-4H3.
What are the key properties of 1-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine?
1-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine has a molecular weight of 207.32 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 62731910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).