1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-4-pyridin-3-ylbutan-2-amine

C16H23ClN4 — CID 105159842

IUPAC1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-4-pyridin-3-ylbutan-2-amine
SMILESCCc1nn(C)c(CC(CCc2cccnc2)NC)c1Cl
InChIInChI=1S/C16H23ClN4/c1-4-14-16(17)15(21(3)20-14)10-13(18-2)8-7-12-6-5-9-19-11-12/h5-6,9,11,13,18H,4,7-8,10H2,1-3H3
InChIKeyCFCJUEKJXAYRNQ-UHFFFAOYSA-N
MW306.84 g/mol
LogP2.79
Rot. Bonds7

About 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-4-pyridin-3-ylbutan-2-amine

1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-4-pyridin-3-ylbutan-2-amine (PubChem CID 105159842) has the molecular formula C16H23ClN4 and a molecular weight of 306.84 g/mol. Its IUPAC name is 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-4-pyridin-3-ylbutan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-4-pyridin-3-ylbutan-2-amine
PubChem CID105159842
Molecular FormulaC16H23ClN4
Molecular Weight306.84 g/mol
Exact Mass306.16
IUPAC Name1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-4-pyridin-3-ylbutan-2-amine
SMILESCCc1nn(C)c(CC(CCc2cccnc2)NC)c1Cl
InChIInChI=1S/C16H23ClN4/c1-4-14-16(17)15(21(3)20-14)10-13(18-2)8-7-12-6-5-9-19-11-12/h5-6,9,11,13,18H,4,7-8,10H2,1-3H3
InChIKeyCFCJUEKJXAYRNQ-UHFFFAOYSA-N
XLogP2.79
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-4-pyridin-3-ylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-5,5,5-trifluoro-N-methylpentan-2-amine
CID 79952752
4-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 115346379
[2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-pyridin-3-ylethyl]hydrazine
CID 105196221
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-4-propoxybutan-2-amine
CID 105159803
N-methyl-1-(1-propan-2-ylpyrazol-3-yl)-4-pyridin-3-ylbutan-2-amine
CID 105154860
N-methyl-4-(1-methylpyrazol-4-yl)-1-pyridin-3-ylbutan-2-amine
CID 103009789
1-(4-bromo-2-chlorophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine
CID 105181723
1-(2-bromophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine
CID 105087512
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-pyridazin-4-ylethanamine
CID 105159900
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 105159919
N-methyl-6-phenyl-1-pyridin-3-ylhexan-3-amine
CID 105139816
[2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethyl]hydrazine
CID 105279877

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-4-pyridin-3-ylbutan-2-amine?
The IUPAC name of 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-4-pyridin-3-ylbutan-2-amine (CID 105159842) is 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-4-pyridin-3-ylbutan-2-amine.
What is the SMILES notation for 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-4-pyridin-3-ylbutan-2-amine?
The canonical SMILES for 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-4-pyridin-3-ylbutan-2-amine is CCc1nn(C)c(CC(CCc2cccnc2)NC)c1Cl.
What is the InChIKey of 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-4-pyridin-3-ylbutan-2-amine?
The InChIKey is CFCJUEKJXAYRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN4/c1-4-14-16(17)15(21(3)20-14)10-13(18-2)8-7-12-6-5-9-19-11-12/h5-6,9,11,13,18H,4,7-8,10H2,1-3H3.
What are the key properties of 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-4-pyridin-3-ylbutan-2-amine?
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-4-pyridin-3-ylbutan-2-amine has a molecular weight of 306.84 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-4-pyridin-3-ylbutan-2-amine is sourced from PubChem (CID 105159842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).