N-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-2-amine

C16H23ClN4 — CID 62295157

IUPACN-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-2-amine
SMILESCc1cc(C)c(CNC(C)C)c(-n2nc(C)c(Cl)c2C)n1
InChIInChI=1S/C16H23ClN4/c1-9(2)18-8-14-10(3)7-11(4)19-16(14)21-13(6)15(17)12(5)20-21/h7,9,18H,8H2,1-6H3
InChIKeyBCWKVKFUOJMINA-UHFFFAOYSA-N
MW306.84 g/mol
LogP3.65
Rot. Bonds4

About N-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-2-amine

N-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-2-amine (PubChem CID 62295157) has the molecular formula C16H23ClN4 and a molecular weight of 306.84 g/mol. Its IUPAC name is N-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-2-amine
PubChem CID62295157
Molecular FormulaC16H23ClN4
Molecular Weight306.84 g/mol
Exact Mass306.16
IUPAC NameN-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-2-amine
SMILESCc1cc(C)c(CNC(C)C)c(-n2nc(C)c(Cl)c2C)n1
InChIInChI=1S/C16H23ClN4/c1-9(2)18-8-14-10(3)7-11(4)19-16(14)21-13(6)15(17)12(5)20-21/h7,9,18H,8H2,1-6H3
InChIKeyBCWKVKFUOJMINA-UHFFFAOYSA-N
XLogP3.65
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]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

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-2-amine (CID 62295157) is N-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-2-amine is Cc1cc(C)c(CNC(C)C)c(-n2nc(C)c(Cl)c2C)n1.
What is the InChIKey of N-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is BCWKVKFUOJMINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN4/c1-9(2)18-8-14-10(3)7-11(4)19-16(14)21-13(6)15(17)12(5)20-21/h7,9,18H,8H2,1-6H3.
What are the key properties of N-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-2-amine?
N-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 306.84 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 62295157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).