2-(3-chloro-4-pyridinyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine

C14H19ClN4 — CID 102812500

IUPAC2-(3-chloro-4-pyridinyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine
SMILESCCc1nn(C)cc1C(Cc1ccncc1Cl)NC
InChIInChI=1S/C14H19ClN4/c1-4-13-11(9-19(3)18-13)14(16-2)7-10-5-6-17-8-12(10)15/h5-6,8-9,14,16H,4,7H2,1-3H3
InChIKeyFDVNMPRNZKXPIF-UHFFFAOYSA-N
MW278.79 g/mol
LogP2.53
Rot. Bonds5

About 2-(3-chloro-4-pyridinyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine

2-(3-chloro-4-pyridinyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine (PubChem CID 102812500) has the molecular formula C14H19ClN4 and a molecular weight of 278.79 g/mol. Its IUPAC name is 2-(3-chloro-4-pyridinyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-pyridinyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine
PubChem CID102812500
Molecular FormulaC14H19ClN4
Molecular Weight278.79 g/mol
Exact Mass278.13
IUPAC Name2-(3-chloro-4-pyridinyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine
SMILESCCc1nn(C)cc1C(Cc1ccncc1Cl)NC
InChIInChI=1S/C14H19ClN4/c1-4-13-11(9-19(3)18-13)14(16-2)7-10-5-6-17-8-12(10)15/h5-6,8-9,14,16H,4,7H2,1-3H3
InChIKeyFDVNMPRNZKXPIF-UHFFFAOYSA-N
XLogP2.53
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-pyridinyl)-1-(2-ethylphenyl)-N-methylethanamine
CID 112655632
[2-(3-chloro-4-pyridinyl)-1-(1,3-dimethylpyrazol-4-yl)ethyl]hydrazine
CID 102805005
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 102812738
2-(2,5-dichlorophenyl)-N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)ethanamine
CID 102812420
1-(3-ethyl-1-methylpyrazol-4-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
CID 102812652
[2-(2-chloro-4-methylphenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethyl]hydrazine
CID 106868302
2-(2-bromo-5-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine
CID 102812202
2-(3-chloro-4-pyridinyl)-1-(2,6-dichlorophenyl)-N-methylethanamine
CID 112655560
1-(2-bromofuran-3-yl)-2-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 106854830
2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 105096581
2-(3,4-difluorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine
CID 102812752
1-(3-ethyl-1-methylpyrazol-4-yl)-N,4-dimethylpentan-1-amine
CID 102812156

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-pyridinyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine?
The IUPAC name of 2-(3-chloro-4-pyridinyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine (CID 102812500) is 2-(3-chloro-4-pyridinyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine.
What is the SMILES notation for 2-(3-chloro-4-pyridinyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine?
The canonical SMILES for 2-(3-chloro-4-pyridinyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine is CCc1nn(C)cc1C(Cc1ccncc1Cl)NC.
What is the InChIKey of 2-(3-chloro-4-pyridinyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine?
The InChIKey is FDVNMPRNZKXPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4/c1-4-13-11(9-19(3)18-13)14(16-2)7-10-5-6-17-8-12(10)15/h5-6,8-9,14,16H,4,7H2,1-3H3.
What are the key properties of 2-(3-chloro-4-pyridinyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine?
2-(3-chloro-4-pyridinyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine has a molecular weight of 278.79 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-pyridinyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine is sourced from PubChem (CID 102812500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).