1-(1-methylcyclopropyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine

C12H21N3 — CID 115867879

IUPAC1-(1-methylcyclopropyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine
SMILESCc1cnn(CCNC(C)C2(C)CC2)c1
InChIInChI=1S/C12H21N3/c1-10-8-14-15(9-10)7-6-13-11(2)12(3)4-5-12/h8-9,11,13H,4-7H2,1-3H3
InChIKeyUPODOFIMVPFJIU-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.97
Rot. Bonds5

About 1-(1-methylcyclopropyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine

1-(1-methylcyclopropyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine (PubChem CID 115867879) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(1-methylcyclopropyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(1-methylcyclopropyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine
PubChem CID115867879
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-(1-methylcyclopropyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine
SMILESCc1cnn(CCNC(C)C2(C)CC2)c1
InChIInChI=1S/C12H21N3/c1-10-8-14-15(9-10)7-6-13-11(2)12(3)4-5-12/h8-9,11,13H,4-7H2,1-3H3
InChIKeyUPODOFIMVPFJIU-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-propan-2-ylpropanamide
CID 113232733
N-[2-(4-methylpyrazol-1-yl)ethyl]-3-propan-2-ylcyclobutan-1-amine
CID 103578457
1-(2,5-dimethylfuran-3-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine
CID 113429021
4-[2-(4-methylpyrazol-1-yl)ethylamino]pentan-1-ol
CID 115972661
N-[1-(1-methylcyclopropyl)ethyl]-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 115716332
(1S)-1-(4-bromophenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine
CID 97073564
N-tert-butyl-2-[2-(4-methylpyrazol-1-yl)ethylamino]propanamide
CID 113232712
1-amino-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclopropane-1-carboxamide
CID 103950251
N-[2-(4-methylpyrazol-1-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115879479
2-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]propanamide
CID 103881624
(2S)-N-[2-(4-methylpyrazol-1-yl)ethyl]-4-phenylbutan-2-amine
CID 95607721
N,N-diethyl-2-[2-(4-methylpyrazol-1-yl)ethylamino]propanamide
CID 113232717

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclopropyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine?
The IUPAC name of 1-(1-methylcyclopropyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine (CID 115867879) is 1-(1-methylcyclopropyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(1-methylcyclopropyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine?
The canonical SMILES for 1-(1-methylcyclopropyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine is Cc1cnn(CCNC(C)C2(C)CC2)c1.
What is the InChIKey of 1-(1-methylcyclopropyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine?
The InChIKey is UPODOFIMVPFJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-10-8-14-15(9-10)7-6-13-11(2)12(3)4-5-12/h8-9,11,13H,4-7H2,1-3H3.
What are the key properties of 1-(1-methylcyclopropyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine?
1-(1-methylcyclopropyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine has a molecular weight of 207.32 g/mol, XLogP of 1.97, 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-(4-methylpyrazol-1-yl)ethyl]ethanamine is sourced from PubChem (CID 115867879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).