1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanamine

C14H18ClN3O — CID 114648348

IUPAC1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanamine
SMILESCCn1ncc(Cl)c1C(N)Cc1cccc(OC)c1
InChIInChI=1S/C14H18ClN3O/c1-3-18-14(12(15)9-17-18)13(16)8-10-5-4-6-11(7-10)19-2/h4-7,9,13H,3,8,16H2,1-2H3
InChIKeyLQNXDPZMBKJTPF-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.81
Rot. Bonds5

About 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanamine

1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanamine (PubChem CID 114648348) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanamine
PubChem CID114648348
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanamine
SMILESCCn1ncc(Cl)c1C(N)Cc1cccc(OC)c1
InChIInChI=1S/C14H18ClN3O/c1-3-18-14(12(15)9-17-18)13(16)8-10-5-4-6-11(7-10)19-2/h4-7,9,13H,3,8,16H2,1-2H3
InChIKeyLQNXDPZMBKJTPF-UHFFFAOYSA-N
XLogP2.81
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanamine
CID 114650151
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanol
CID 114643089
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-chlorophenyl)ethanamine
CID 114646510
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2-chloro-6-fluorophenyl)ethanamine
CID 114650316
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(3-chlorophenyl)ethanamine
CID 114646518
2-(3-chlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine
CID 114646525
2-(3-methoxyphenyl)-1-(3-propyltriazol-4-yl)ethanamine
CID 114687287
(1S)-1,2-bis(3-methoxyphenyl)ethanamine
CID 40618709
1-chloro-2-(3-methoxyphenyl)ethanamine
CID 67681258
2-(3-methoxyphenyl)-1-pyrimidin-2-ylethanamine
CID 62600114
2-(3-methoxyphenyl)-1-pyridin-3-ylethanamine
CID 22299530
1,2-bis(3-methoxyphenyl)ethanamine;hydrochloride
CID 54599738

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanamine?
The IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanamine (CID 114648348) is 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanamine is CCn1ncc(Cl)c1C(N)Cc1cccc(OC)c1.
What is the InChIKey of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanamine?
The InChIKey is LQNXDPZMBKJTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-3-18-14(12(15)9-17-18)13(16)8-10-5-4-6-11(7-10)19-2/h4-7,9,13H,3,8,16H2,1-2H3.
What are the key properties of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanamine?
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanamine has a molecular weight of 279.77 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 114648348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).