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

C15H21ClN4 — CID 80635274

IUPACN-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)cnc1-n1nc(C)c(Cl)c1C
InChIInChI=1S/C15H21ClN4/c1-9(2)17-7-13-6-10(3)15(18-8-13)20-12(5)14(16)11(4)19-20/h6,8-9,17H,7H2,1-5H3
InChIKeyZNYUDSANZDVCEO-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.34
Rot. Bonds4

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

N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine (PubChem CID 80635274) 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)-5-methyl-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine
PubChem CID80635274
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC NameN-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)cnc1-n1nc(C)c(Cl)c1C
InChIInChI=1S/C15H21ClN4/c1-9(2)17-7-13-6-10(3)15(18-8-13)20-12(5)14(16)11(4)19-20/h6,8-9,17H,7H2,1-5H3
InChIKeyZNYUDSANZDVCEO-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

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine (CID 80635274) is N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine is Cc1cc(CNC(C)C)cnc1-n1nc(C)c(Cl)c1C.
What is the InChIKey of N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is ZNYUDSANZDVCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4/c1-9(2)17-7-13-6-10(3)15(18-8-13)20-12(5)14(16)11(4)19-20/h6,8-9,17H,7H2,1-5H3.
What are the key properties of N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine?
N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-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-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 80635274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).