N-[(2-chlorophenyl)methyl]-1-(1,3-dimethylpyrazol-4-yl)ethanamine

C14H18ClN3 — CID 63378794

IUPACN-[(2-chlorophenyl)methyl]-1-(1,3-dimethylpyrazol-4-yl)ethanamine
SMILESCc1nn(C)cc1C(C)NCc1ccccc1Cl
InChIInChI=1S/C14H18ClN3/c1-10(13-9-18(3)17-11(13)2)16-8-12-6-4-5-7-14(12)15/h4-7,9-10,16H,8H2,1-3H3
InChIKeyNOBQRGIQPCHJBX-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.23
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-1-(1,3-dimethylpyrazol-4-yl)ethanamine

N-[(2-chlorophenyl)methyl]-1-(1,3-dimethylpyrazol-4-yl)ethanamine (PubChem CID 63378794) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-(1,3-dimethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-(1,3-dimethylpyrazol-4-yl)ethanamine
PubChem CID63378794
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC NameN-[(2-chlorophenyl)methyl]-1-(1,3-dimethylpyrazol-4-yl)ethanamine
SMILESCc1nn(C)cc1C(C)NCc1ccccc1Cl
InChIInChI=1S/C14H18ClN3/c1-10(13-9-18(3)17-11(13)2)16-8-12-6-4-5-7-14(12)15/h4-7,9-10,16H,8H2,1-3H3
InChIKeyNOBQRGIQPCHJBX-UHFFFAOYSA-N
XLogP3.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-dimethylpyrazol-4-yl)-N-[(2-nitrophenyl)methyl]ethanamine
CID 65196934
1-(1,3-dimethylpyrazol-4-yl)-N-[2-(2-methylphenyl)ethyl]ethanamine
CID 79763765
1-(1,3-dimethylpyrazol-4-yl)-N-(1H-indol-3-ylmethyl)ethanamine
CID 19626630
2-(2-chlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 102803032
(1S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 83088818
1-(1,3-dimethylpyrazol-4-yl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]ethanamine
CID 19625559
1-(1,3-dimethylpyrazol-4-yl)-N-(furan-2-ylmethyl)ethanamine
CID 19626620
1-(1,3-dimethylpyrazol-4-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 63379064
N-(1,3-benzothiazol-2-ylmethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 65192059
N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 43178075
2-[[1-(1-ethyl-3-methylpyrazol-4-yl)ethylamino]methyl]phenol
CID 19627467
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methyl-2-phenylpropan-1-amine
CID 65196878

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-(1,3-dimethylpyrazol-4-yl)ethanamine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-(1,3-dimethylpyrazol-4-yl)ethanamine (CID 63378794) is N-[(2-chlorophenyl)methyl]-1-(1,3-dimethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-(1,3-dimethylpyrazol-4-yl)ethanamine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-(1,3-dimethylpyrazol-4-yl)ethanamine is Cc1nn(C)cc1C(C)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-(1,3-dimethylpyrazol-4-yl)ethanamine?
The InChIKey is NOBQRGIQPCHJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-10(13-9-18(3)17-11(13)2)16-8-12-6-4-5-7-14(12)15/h4-7,9-10,16H,8H2,1-3H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-1-(1,3-dimethylpyrazol-4-yl)ethanamine?
N-[(2-chlorophenyl)methyl]-1-(1,3-dimethylpyrazol-4-yl)ethanamine has a molecular weight of 263.77 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-(1,3-dimethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 63378794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).