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

C15H21ClN4 — CID 62293049

IUPACN-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCc1nn(-c2ccc(CNCC(C)C)cn2)c(C)c1Cl
InChIInChI=1S/C15H21ClN4/c1-10(2)7-17-8-13-5-6-14(18-9-13)20-12(4)15(16)11(3)19-20/h5-6,9-10,17H,7-8H2,1-4H3
InChIKeyNBXFFYIIYBFJEB-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.28
Rot. Bonds5

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

N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 62293049) has the molecular formula C15H21ClN4 and a molecular weight of 292.81 g/mol. Its IUPAC name is N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID62293049
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC NameN-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCc1nn(-c2ccc(CNCC(C)C)cn2)c(C)c1Cl
InChIInChI=1S/C15H21ClN4/c1-10(2)7-17-8-13-5-6-14(18-9-13)20-12(4)15(16)11(3)19-20/h5-6,9-10,17H,7-8H2,1-4H3
InChIKeyNBXFFYIIYBFJEB-UHFFFAOYSA-N
XLogP3.28
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]ethanamine
CID 80634263
N-[[6-(azocan-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62279303
N-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 63071540
2-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 60777709
6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-3-carbonitrile
CID 62129175
N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 64579644
N-[[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-chloro-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62295326
2-methyl-N-[[6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]propan-1-amine
CID 66371207
N-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 62295333
1-[4-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 80632248
N-[[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62288556
N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]methyl]ethanamine
CID 62293226

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine (CID 62293049) is N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine is Cc1nn(-c2ccc(CNCC(C)C)cn2)c(C)c1Cl.
What is the InChIKey of N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is NBXFFYIIYBFJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4/c1-10(2)7-17-8-13-5-6-14(18-9-13)20-12(4)15(16)11(3)19-20/h5-6,9-10,17H,7-8H2,1-4H3.
What are the key properties of N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 292.81 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62293049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).