N-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)-5-(methoxymethyl)pyrazin-2-amine

C17H18ClN5O — CID 25230627

IUPACN-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)-5-(methoxymethyl)pyrazin-2-amine
SMILESCOCc1ncc(Nc2ccc(Cl)cc2)nc1-n1nc(C)cc1C
InChIInChI=1S/C17H18ClN5O/c1-11-8-12(2)23(22-11)17-15(10-24-3)19-9-16(21-17)20-14-6-4-13(18)5-7-14/h4-9H,10H2,1-3H3,(H,20,21)
InChIKeyCCRSEBZHVRULNW-UHFFFAOYSA-N
MW343.82 g/mol
LogP3.82
Rot. Bonds5

About N-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)-5-(methoxymethyl)pyrazin-2-amine

N-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)-5-(methoxymethyl)pyrazin-2-amine (PubChem CID 25230627) has the molecular formula C17H18ClN5O and a molecular weight of 343.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)-5-(methoxymethyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)-5-(methoxymethyl)pyrazin-2-amine
PubChem CID25230627
Molecular FormulaC17H18ClN5O
Molecular Weight343.82 g/mol
Exact Mass343.12
IUPAC NameN-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)-5-(methoxymethyl)pyrazin-2-amine
SMILESCOCc1ncc(Nc2ccc(Cl)cc2)nc1-n1nc(C)cc1C
InChIInChI=1S/C17H18ClN5O/c1-11-8-12(2)23(22-11)17-15(10-24-3)19-9-16(21-17)20-14-6-4-13(18)5-7-14/h4-9H,10H2,1-3H3,(H,20,21)
InChIKeyCCRSEBZHVRULNW-UHFFFAOYSA-N
XLogP3.82
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.82
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-N-(4-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)-2-N-ethylpyrazine-2,5-diamine
CID 25230632
N-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 25230411
N-(4-bromophenyl)-7-chloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine
CID 101211910
[3-chloro-5-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]methanol
CID 59570672
6-chloro-N-(3,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine
CID 22432171
N-(4-chlorophenyl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]acetamide
CID 133284003
5-(4-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)-6-(methylaminomethyl)pyrazin-2-amine
CID 25230560
5-chloro-4-(3,5-dimethylpyrazol-1-yl)pyrimidine
CID 105370840
2-[(4-chlorophenyl)methylsulfanyl]-3-(3,5-dimethylpyrazol-1-yl)pyrazine
CID 154883876
2-N-(4-chlorophenyl)-6-N-methylpyrazine-2,6-diamine
CID 80760465
2-(4-chlorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide
CID 71789815
1-(4-chlorophenyl)-5-methoxy-3-methylpyrazole
CID 2318102

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)-5-(methoxymethyl)pyrazin-2-amine?
The IUPAC name of N-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)-5-(methoxymethyl)pyrazin-2-amine (CID 25230627) is N-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)-5-(methoxymethyl)pyrazin-2-amine.
What is the SMILES notation for N-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)-5-(methoxymethyl)pyrazin-2-amine?
The canonical SMILES for N-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)-5-(methoxymethyl)pyrazin-2-amine is COCc1ncc(Nc2ccc(Cl)cc2)nc1-n1nc(C)cc1C.
What is the InChIKey of N-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)-5-(methoxymethyl)pyrazin-2-amine?
The InChIKey is CCRSEBZHVRULNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O/c1-11-8-12(2)23(22-11)17-15(10-24-3)19-9-16(21-17)20-14-6-4-13(18)5-7-14/h4-9H,10H2,1-3H3,(H,20,21).
What are the key properties of N-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)-5-(methoxymethyl)pyrazin-2-amine?
N-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)-5-(methoxymethyl)pyrazin-2-amine has a molecular weight of 343.82 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)-5-(methoxymethyl)pyrazin-2-amine is sourced from PubChem (CID 25230627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).