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

C15H21ClN4 — CID 81254327

IUPACN-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine
SMILESCc1cc(-n2nc(C)c(Cl)c2C)c(CNC(C)C)cn1
InChIInChI=1S/C15H21ClN4/c1-9(2)17-7-13-8-18-10(3)6-14(13)20-12(5)15(16)11(4)19-20/h6,8-9,17H,7H2,1-5H3
InChIKeyJZXMBJUJCCWDBR-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.34
Rot. Bonds4

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

N-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine (PubChem CID 81254327) has the molecular formula C15H21ClN4 and a molecular weight of 292.81 g/mol. Its IUPAC name is N-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine
PubChem CID81254327
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC NameN-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine
SMILESCc1cc(-n2nc(C)c(Cl)c2C)c(CNC(C)C)cn1
InChIInChI=1S/C15H21ClN4/c1-9(2)17-7-13-8-18-10(3)6-14(13)20-12(5)15(16)11(4)19-20/h6,8-9,17H,7H2,1-5H3
InChIKeyJZXMBJUJCCWDBR-UHFFFAOYSA-N
XLogP3.34
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[[6-methyl-4-(3-methylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 81255074
N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 80635274
N-[[2-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]methyl]propan-2-amine
CID 62131046
N-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-2-amine
CID 62295157
N-[[4-(3,3-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine
CID 81247724
N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]propan-2-amine
CID 62294975
N-[[4-(2-ethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine
CID 81248517
N-[[4-(2,3-dihydroindol-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine
CID 81249037
N-[[4-chloro-2-(4,5-dimethylimidazol-1-yl)phenyl]methyl]propan-2-amine
CID 114854525
N-[[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine
CID 81254608
N-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 63071540
1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 105074627

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine (CID 81254327) is N-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine is Cc1cc(-n2nc(C)c(Cl)c2C)c(CNC(C)C)cn1.
What is the InChIKey of N-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is JZXMBJUJCCWDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4/c1-9(2)17-7-13-8-18-10(3)6-14(13)20-12(5)15(16)11(4)19-20/h6,8-9,17H,7H2,1-5H3.
What are the key properties of N-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine?
N-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 292.81 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 81254327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).