3-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5,6-dimethylpyrazin-2-amine

C14H20ClN5 — CID 114539015

IUPAC3-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5,6-dimethylpyrazin-2-amine
SMILESCc1cc(C)n(CCCNc2nc(C)c(C)nc2Cl)n1
InChIInChI=1S/C14H20ClN5/c1-9-8-10(2)20(19-9)7-5-6-16-14-13(15)17-11(3)12(4)18-14/h8H,5-7H2,1-4H3,(H,16,18)
InChIKeyYYWYXEUMHCFUNQ-UHFFFAOYSA-N
MW293.80 g/mol
LogP3.06
Rot. Bonds5

About 3-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5,6-dimethylpyrazin-2-amine

3-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5,6-dimethylpyrazin-2-amine (PubChem CID 114539015) has the molecular formula C14H20ClN5 and a molecular weight of 293.80 g/mol. Its IUPAC name is 3-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5,6-dimethylpyrazin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5,6-dimethylpyrazin-2-amine
PubChem CID114539015
Molecular FormulaC14H20ClN5
Molecular Weight293.80 g/mol
Exact Mass293.14
IUPAC Name3-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5,6-dimethylpyrazin-2-amine
SMILESCc1cc(C)n(CCCNc2nc(C)c(C)nc2Cl)n1
InChIInChI=1S/C14H20ClN5/c1-9-8-10(2)20(19-9)7-5-6-16-14-13(15)17-11(3)12(4)18-14/h8H,5-7H2,1-4H3,(H,16,18)
InChIKeyYYWYXEUMHCFUNQ-UHFFFAOYSA-N
XLogP3.06
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,5-dichloro-6-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-N-methylpyridine-2,6-diamine
CID 102760138
3-bromo-5-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridin-2-amine
CID 114836170
2-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 86816276
2-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methylpyridine-2,5-diamine
CID 114536155
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 114542225
3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyrazine-2-carbothioamide
CID 114536969
5-chloro-1-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-fluorobenzene-1,2,4-triamine
CID 103553524
6-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-2,3,6-triamine
CID 114536169
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 114542222
4-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330644
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]hydroxylamine
CID 122626197
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-hydrazinyl-5-methoxypyrimidin-4-amine
CID 114542224

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5,6-dimethylpyrazin-2-amine?
The IUPAC name of 3-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5,6-dimethylpyrazin-2-amine (CID 114539015) is 3-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5,6-dimethylpyrazin-2-amine.
What is the SMILES notation for 3-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5,6-dimethylpyrazin-2-amine?
The canonical SMILES for 3-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5,6-dimethylpyrazin-2-amine is Cc1cc(C)n(CCCNc2nc(C)c(C)nc2Cl)n1.
What is the InChIKey of 3-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5,6-dimethylpyrazin-2-amine?
The InChIKey is YYWYXEUMHCFUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN5/c1-9-8-10(2)20(19-9)7-5-6-16-14-13(15)17-11(3)12(4)18-14/h8H,5-7H2,1-4H3,(H,16,18).
What are the key properties of 3-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5,6-dimethylpyrazin-2-amine?
3-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5,6-dimethylpyrazin-2-amine has a molecular weight of 293.80 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5,6-dimethylpyrazin-2-amine is sourced from PubChem (CID 114539015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).