1-(1-methylcyclopropyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine

C12H21N3 — CID 104629143

IUPAC1-(1-methylcyclopropyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
SMILESCC(NCCc1ccn(C)n1)C1(C)CC1
InChIInChI=1S/C12H21N3/c1-10(12(2)6-7-12)13-8-4-11-5-9-15(3)14-11/h5,9-10,13H,4,6-8H2,1-3H3
InChIKeyNXPXQDMHJUBQCX-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.74
Rot. Bonds5

About 1-(1-methylcyclopropyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine

1-(1-methylcyclopropyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine (PubChem CID 104629143) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(1-methylcyclopropyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(1-methylcyclopropyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
PubChem CID104629143
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-(1-methylcyclopropyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
SMILESCC(NCCc1ccn(C)n1)C1(C)CC1
InChIInChI=1S/C12H21N3/c1-10(12(2)6-7-12)13-8-4-11-5-9-15(3)14-11/h5,9-10,13H,4,6-8H2,1-3H3
InChIKeyNXPXQDMHJUBQCX-UHFFFAOYSA-N
XLogP1.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
CID 104629165
1-(furan-2-yl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
CID 104629058
N-[2-(1-methylpyrazol-3-yl)ethyl]-1-methylsulfonylpropan-2-amine
CID 104629114
4-[1-[2-(1-methylpyrazol-3-yl)ethylamino]ethyl]benzene-1,3-diol
CID 106104315
N-(methylcarbamoyl)-2-[2-(1-methylpyrazol-3-yl)ethylamino]propanamide
CID 113434460
N-[2-(1-methylpyrazol-3-yl)ethyl]-4-phenylbutan-2-amine
CID 104626268
1-(2-bromophenyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
CID 113434466
N-[2-(1-methylpyrazol-3-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine
CID 106104199
4-[2-(1-methylpyrazol-3-yl)ethylamino]pentanoic acid
CID 106104330
N-methyl-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82877898
2,2-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 104626821
1-(5-ethylthiophen-2-yl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
CID 104629100

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclopropyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine?
The IUPAC name of 1-(1-methylcyclopropyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine (CID 104629143) is 1-(1-methylcyclopropyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(1-methylcyclopropyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine?
The canonical SMILES for 1-(1-methylcyclopropyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine is CC(NCCc1ccn(C)n1)C1(C)CC1.
What is the InChIKey of 1-(1-methylcyclopropyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine?
The InChIKey is NXPXQDMHJUBQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-10(12(2)6-7-12)13-8-4-11-5-9-15(3)14-11/h5,9-10,13H,4,6-8H2,1-3H3.
What are the key properties of 1-(1-methylcyclopropyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine?
1-(1-methylcyclopropyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine has a molecular weight of 207.32 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclopropyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine is sourced from PubChem (CID 104629143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).