(1R)-N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-pyridin-3-ylethanamine

C14H20N4 — CID 81404494

IUPAC(1R)-N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-pyridin-3-ylethanamine
SMILESCCn1cc(C(C)N[C@H](C)c2cccnc2)cn1
InChIInChI=1S/C14H20N4/c1-4-18-10-14(9-16-18)12(3)17-11(2)13-6-5-7-15-8-13/h5-12,17H,4H2,1-3H3/t11-,12?/m1/s1
InChIKeyOVYXQSDWAJXHKT-JHJMLUEUSA-N
MW244.34 g/mol
LogP2.71
Rot. Bonds5

About (1R)-N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-pyridin-3-ylethanamine

(1R)-N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-pyridin-3-ylethanamine (PubChem CID 81404494) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is (1R)-N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-pyridin-3-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-pyridin-3-ylethanamine
PubChem CID81404494
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name(1R)-N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-pyridin-3-ylethanamine
SMILESCCn1cc(C(C)N[C@H](C)c2cccnc2)cn1
InChIInChI=1S/C14H20N4/c1-4-18-10-14(9-16-18)12(3)17-11(2)13-6-5-7-15-8-13/h5-12,17H,4H2,1-3H3/t11-,12?/m1/s1
InChIKeyOVYXQSDWAJXHKT-JHJMLUEUSA-N
XLogP2.71
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-(3-methylphenyl)ethanamine
CID 81360333
(1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 11413502
(2R)-2-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-phenylethanol
CID 103788757
N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-phenylpropan-2-amine
CID 63012963
(1S)-N-[1-(2-methylpyrazol-3-yl)ethyl]-1-pyridin-3-ylethanamine
CID 106757978
(1R)-N-[1-(1-methylimidazol-2-yl)ethyl]-1-pyridin-3-ylethanamine
CID 81404141
1-(4-fluorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 81406480
1-(4-iodophenyl)-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 81345023
4-methyl-N-(1-pyridin-3-ylethyl)pentan-2-amine
CID 43203538
1-(4-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 79690838
4-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]benzonitrile
CID 81407237
(1R)-N-[1-(3-methylpyrazin-2-yl)ethyl]-1-pyridin-3-ylethanamine
CID 102613225

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-pyridin-3-ylethanamine?
The IUPAC name of (1R)-N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-pyridin-3-ylethanamine (CID 81404494) is (1R)-N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-pyridin-3-ylethanamine.
What is the SMILES notation for (1R)-N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-pyridin-3-ylethanamine?
The canonical SMILES for (1R)-N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-pyridin-3-ylethanamine is CCn1cc(C(C)N[C@H](C)c2cccnc2)cn1.
What is the InChIKey of (1R)-N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-pyridin-3-ylethanamine?
The InChIKey is OVYXQSDWAJXHKT-JHJMLUEUSA-N. The full InChI is InChI=1S/C14H20N4/c1-4-18-10-14(9-16-18)12(3)17-11(2)13-6-5-7-15-8-13/h5-12,17H,4H2,1-3H3/t11-,12?/m1/s1.
What are the key properties of (1R)-N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-pyridin-3-ylethanamine?
(1R)-N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-pyridin-3-ylethanamine has a molecular weight of 244.34 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-pyridin-3-ylethanamine is sourced from PubChem (CID 81404494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).