1-(3-chloro-4-pyridinyl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine

C14H19ClN4 — CID 105154934

IUPAC1-(3-chloro-4-pyridinyl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
SMILESCNC(Cc1ccn(C(C)C)n1)c1ccncc1Cl
InChIInChI=1S/C14H19ClN4/c1-10(2)19-7-5-11(18-19)8-14(16-3)12-4-6-17-9-13(12)15/h4-7,9-10,14,16H,8H2,1-3H3
InChIKeyAMVOOSZGXZUNAV-UHFFFAOYSA-N
MW278.79 g/mol
LogP3.02
Rot. Bonds5

About 1-(3-chloro-4-pyridinyl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine

1-(3-chloro-4-pyridinyl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine (PubChem CID 105154934) has the molecular formula C14H19ClN4 and a molecular weight of 278.79 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
PubChem CID105154934
Molecular FormulaC14H19ClN4
Molecular Weight278.79 g/mol
Exact Mass278.13
IUPAC Name1-(3-chloro-4-pyridinyl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
SMILESCNC(Cc1ccn(C(C)C)n1)c1ccncc1Cl
InChIInChI=1S/C14H19ClN4/c1-10(2)19-7-5-11(18-19)8-14(16-3)12-4-6-17-9-13(12)15/h4-7,9-10,14,16H,8H2,1-3H3
InChIKeyAMVOOSZGXZUNAV-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-fluorophenyl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 114886218
1-(3-chloro-4-pyridinyl)-N-methyl-2-pyridin-2-ylethanamine
CID 105158118
[1-(3-fluoro-4-pyridinyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105258519
1-(3-chloro-4-pyridinyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105175018
N-methyl-2-(1-propan-2-ylpyrazol-3-yl)-1-pyrimidin-2-ylethanamine
CID 64770856
1-(3-chloro-4-pyridinyl)-N,4-dimethylpentan-1-amine
CID 105127189
2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 105096581
1-(4-bromophenyl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 64771366
N-[1-(4-methyl-3-pyridinyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine
CID 114878605
1-(3-chloro-4-pyridinyl)-N,3-dimethylpentan-1-amine
CID 105138462
1-(2-bromo-4-methylphenyl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 104990061
N-methyl-1-(1-methylpyrazol-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 65200899

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine (CID 105154934) is 1-(3-chloro-4-pyridinyl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine is CNC(Cc1ccn(C(C)C)n1)c1ccncc1Cl.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
The InChIKey is AMVOOSZGXZUNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4/c1-10(2)19-7-5-11(18-19)8-14(16-3)12-4-6-17-9-13(12)15/h4-7,9-10,14,16H,8H2,1-3H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
1-(3-chloro-4-pyridinyl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine has a molecular weight of 278.79 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 105154934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).