N-[[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclohexyl]methyl]propan-2-amine

C16H28ClN3 — CID 81024685

IUPACN-[[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclohexyl]methyl]propan-2-amine
SMILESCc1nn(C)c(CC2CCCCC2CNC(C)C)c1Cl
InChIInChI=1S/C16H28ClN3/c1-11(2)18-10-14-8-6-5-7-13(14)9-15-16(17)12(3)19-20(15)4/h11,13-14,18H,5-10H2,1-4H3
InChIKeyPAWZFKCHAXIQMP-UHFFFAOYSA-N
MW297.87 g/mol
LogP3.73
Rot. Bonds5

About N-[[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclohexyl]methyl]propan-2-amine

N-[[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclohexyl]methyl]propan-2-amine (PubChem CID 81024685) has the molecular formula C16H28ClN3 and a molecular weight of 297.87 g/mol. Its IUPAC name is N-[[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclohexyl]methyl]propan-2-amine
PubChem CID81024685
Molecular FormulaC16H28ClN3
Molecular Weight297.87 g/mol
Exact Mass297.20
IUPAC NameN-[[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclohexyl]methyl]propan-2-amine
SMILESCc1nn(C)c(CC2CCCCC2CNC(C)C)c1Cl
InChIInChI=1S/C16H28ClN3/c1-11(2)18-10-14-8-6-5-7-13(14)9-15-16(17)12(3)19-20(15)4/h11,13-14,18H,5-10H2,1-4H3
InChIKeyPAWZFKCHAXIQMP-UHFFFAOYSA-N
XLogP3.73
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.87
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclohexyl]methyl]propan-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-[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-propan-2-ylcyclohexyl]-N-methylmethanamine
CID 81025388
N-[[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclohexyl]methyl]propan-2-amine
CID 81027565
N-[[2-[(2-methyltetrazol-5-yl)methyl]cycloheptyl]methyl]propan-2-amine
CID 107059258
1-[2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopentyl]-N-methylmethanamine
CID 81032643
N-[[2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81026860
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-cyclooctylethanamine
CID 80603689
2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 81013682
4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-N-ethylthiolan-3-amine
CID 83196510
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol
CID 66039637
N-[[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]cyclopentyl]methyl]ethanamine
CID 113470802
N-[[2-[(2-propyl-1,2,4-triazol-3-yl)methyl]cycloheptyl]methyl]propan-2-amine
CID 81035056
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-cyclopropylethyl]hydrazine
CID 105202592

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclohexyl]methyl]propan-2-amine (CID 81024685) is N-[[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclohexyl]methyl]propan-2-amine is Cc1nn(C)c(CC2CCCCC2CNC(C)C)c1Cl.
What is the InChIKey of N-[[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclohexyl]methyl]propan-2-amine?
The InChIKey is PAWZFKCHAXIQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28ClN3/c1-11(2)18-10-14-8-6-5-7-13(14)9-15-16(17)12(3)19-20(15)4/h11,13-14,18H,5-10H2,1-4H3.
What are the key properties of N-[[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclohexyl]methyl]propan-2-amine?
N-[[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclohexyl]methyl]propan-2-amine has a molecular weight of 297.87 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 81024685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).