(1S)-N-[1-(2-methylpyrazol-3-yl)ethyl]-1-pyridin-3-ylethanamine

C13H18N4 — CID 106757978

IUPAC(1S)-N-[1-(2-methylpyrazol-3-yl)ethyl]-1-pyridin-3-ylethanamine
SMILESCC(N[C@@H](C)c1cccnc1)c1ccnn1C
InChIInChI=1S/C13H18N4/c1-10(12-5-4-7-14-9-12)16-11(2)13-6-8-15-17(13)3/h4-11,16H,1-3H3/t10-,11?/m0/s1
InChIKeyKCFLQYRDZGNDQA-VUWPPUDQSA-N
MW230.31 g/mol
LogP2.23
Rot. Bonds4

About (1S)-N-[1-(2-methylpyrazol-3-yl)ethyl]-1-pyridin-3-ylethanamine

(1S)-N-[1-(2-methylpyrazol-3-yl)ethyl]-1-pyridin-3-ylethanamine (PubChem CID 106757978) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is (1S)-N-[1-(2-methylpyrazol-3-yl)ethyl]-1-pyridin-3-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[1-(2-methylpyrazol-3-yl)ethyl]-1-pyridin-3-ylethanamine
PubChem CID106757978
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name(1S)-N-[1-(2-methylpyrazol-3-yl)ethyl]-1-pyridin-3-ylethanamine
SMILESCC(N[C@@H](C)c1cccnc1)c1ccnn1C
InChIInChI=1S/C13H18N4/c1-10(12-5-4-7-14-9-12)16-11(2)13-6-8-15-17(13)3/h4-11,16H,1-3H3/t10-,11?/m0/s1
InChIKeyKCFLQYRDZGNDQA-VUWPPUDQSA-N
XLogP2.23
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methylpyrazol-3-yl)ethyl]-1-pyridin-4-ylethanamine
CID 106756922
(1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 11413502
(1S)-N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-ylethanamine
CID 79479907
1-(4-ethylphenyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 106757173
N-[(1R)-1-(furan-2-yl)ethyl]-1-pyridin-3-ylethanamine
CID 81402901
N-[(1R)-1-(furan-2-yl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine
CID 106757976
(1R)-N-[1-(1-methylimidazol-2-yl)ethyl]-1-pyridin-3-ylethanamine
CID 81404141
(1R)-N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-pyridin-3-ylethanamine
CID 81404494
1-(4-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 79690838
1-(4-iodophenyl)-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 81345023
1-(4-fluorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 81406480
(1R)-N-[1-(5-methylfuran-2-yl)ethyl]-1-pyridin-3-ylethanamine
CID 81407154

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[1-(2-methylpyrazol-3-yl)ethyl]-1-pyridin-3-ylethanamine?
The IUPAC name of (1S)-N-[1-(2-methylpyrazol-3-yl)ethyl]-1-pyridin-3-ylethanamine (CID 106757978) is (1S)-N-[1-(2-methylpyrazol-3-yl)ethyl]-1-pyridin-3-ylethanamine.
What is the SMILES notation for (1S)-N-[1-(2-methylpyrazol-3-yl)ethyl]-1-pyridin-3-ylethanamine?
The canonical SMILES for (1S)-N-[1-(2-methylpyrazol-3-yl)ethyl]-1-pyridin-3-ylethanamine is CC(N[C@@H](C)c1cccnc1)c1ccnn1C.
What is the InChIKey of (1S)-N-[1-(2-methylpyrazol-3-yl)ethyl]-1-pyridin-3-ylethanamine?
The InChIKey is KCFLQYRDZGNDQA-VUWPPUDQSA-N. The full InChI is InChI=1S/C13H18N4/c1-10(12-5-4-7-14-9-12)16-11(2)13-6-8-15-17(13)3/h4-11,16H,1-3H3/t10-,11?/m0/s1.
What are the key properties of (1S)-N-[1-(2-methylpyrazol-3-yl)ethyl]-1-pyridin-3-ylethanamine?
(1S)-N-[1-(2-methylpyrazol-3-yl)ethyl]-1-pyridin-3-ylethanamine has a molecular weight of 230.31 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[1-(2-methylpyrazol-3-yl)ethyl]-1-pyridin-3-ylethanamine is sourced from PubChem (CID 106757978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).