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

C13H18ClN5 — CID 103057201

IUPAC5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-propylpyrazin-2-amine
SMILESCCCNc1cnc(Cn2nc(C)c(Cl)c2C)cn1
InChIInChI=1S/C13H18ClN5/c1-4-5-15-12-7-16-11(6-17-12)8-19-10(3)13(14)9(2)18-19/h6-7H,4-5,8H2,1-3H3,(H,15,17)
InChIKeyYJBGFNTWESTCSM-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.81
Rot. Bonds5

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

5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-propylpyrazin-2-amine (PubChem CID 103057201) has the molecular formula C13H18ClN5 and a molecular weight of 279.77 g/mol. Its IUPAC name is 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-propylpyrazin-2-amine.

Molecular Properties

Compound Name5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-propylpyrazin-2-amine
PubChem CID103057201
Molecular FormulaC13H18ClN5
Molecular Weight279.77 g/mol
Exact Mass279.13
IUPAC Name5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-propylpyrazin-2-amine
SMILESCCCNc1cnc(Cn2nc(C)c(Cl)c2C)cn1
InChIInChI=1S/C13H18ClN5/c1-4-5-15-12-7-16-11(6-17-12)8-19-10(3)13(14)9(2)18-19/h6-7H,4-5,8H2,1-3H3,(H,15,17)
InChIKeyYJBGFNTWESTCSM-UHFFFAOYSA-N
XLogP2.81
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-propylpyrazin-2-amine?
The IUPAC name of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-propylpyrazin-2-amine (CID 103057201) is 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-propylpyrazin-2-amine.
What is the SMILES notation for 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-propylpyrazin-2-amine?
The canonical SMILES for 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-propylpyrazin-2-amine is CCCNc1cnc(Cn2nc(C)c(Cl)c2C)cn1.
What is the InChIKey of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-propylpyrazin-2-amine?
The InChIKey is YJBGFNTWESTCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5/c1-4-5-15-12-7-16-11(6-17-12)8-19-10(3)13(14)9(2)18-19/h6-7H,4-5,8H2,1-3H3,(H,15,17).
What are the key properties of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-propylpyrazin-2-amine?
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-propylpyrazin-2-amine has a molecular weight of 279.77 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-propylpyrazin-2-amine is sourced from PubChem (CID 103057201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).