(1S)-1-(2-chlorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine

C14H18ClN3 — CID 81378018

IUPAC(1S)-1-(2-chlorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine
SMILESCCn1cc(CN[C@@H](C)c2ccccc2Cl)cn1
InChIInChI=1S/C14H18ClN3/c1-3-18-10-12(9-17-18)8-16-11(2)13-6-4-5-7-14(13)15/h4-7,9-11,16H,3,8H2,1-2H3/t11-/m0/s1
InChIKeyJLRAPNOCCFBSNM-NSHDSACASA-N
MW263.77 g/mol
LogP3.41
Rot. Bonds5

About (1S)-1-(2-chlorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine

(1S)-1-(2-chlorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine (PubChem CID 81378018) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is (1S)-1-(2-chlorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(2-chlorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine
PubChem CID81378018
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name(1S)-1-(2-chlorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine
SMILESCCn1cc(CN[C@@H](C)c2ccccc2Cl)cn1
InChIInChI=1S/C14H18ClN3/c1-3-18-10-12(9-17-18)8-16-11(2)13-6-4-5-7-14(13)15/h4-7,9-11,16H,3,8H2,1-2H3/t11-/m0/s1
InChIKeyJLRAPNOCCFBSNM-NSHDSACASA-N
XLogP3.41
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[1-(2-chlorophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol
CID 64829552
1-(5-chlorothiophen-2-yl)-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 62125652
1-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 19625638
(1R)-N-[(1-ethylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine
CID 81400661
(1R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-naphthalen-1-ylethanamine
CID 31560301
1-(2-chlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 55139743
1-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]ethanamine
CID 22483034
3-[(1-ethylpyrazol-4-yl)methylamino]butan-1-ol
CID 78998031
1-(2-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine
CID 62997890
(1R)-1-(2-chlorophenyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)ethanamine
CID 81376927
(1R)-1-(2-chlorophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 81377729
1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine
CID 64714718

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-chlorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-(2-chlorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine (CID 81378018) is (1S)-1-(2-chlorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(2-chlorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(2-chlorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine is CCn1cc(CN[C@@H](C)c2ccccc2Cl)cn1.
What is the InChIKey of (1S)-1-(2-chlorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is JLRAPNOCCFBSNM-NSHDSACASA-N. The full InChI is InChI=1S/C14H18ClN3/c1-3-18-10-12(9-17-18)8-16-11(2)13-6-4-5-7-14(13)15/h4-7,9-11,16H,3,8H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-(2-chlorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine?
(1S)-1-(2-chlorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 263.77 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-chlorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 81378018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).