6-[(3-chlorophenyl)methoxy]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazin-2-amine

C17H18ClN5O — CID 133405618

IUPAC6-[(3-chlorophenyl)methoxy]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazin-2-amine
SMILESCc1c(CNc2cncc(OCc3cccc(Cl)c3)n2)cnn1C
InChIInChI=1S/C17H18ClN5O/c1-12-14(8-21-23(12)2)7-20-16-9-19-10-17(22-16)24-11-13-4-3-5-15(18)6-13/h3-6,8-10H,7,11H2,1-2H3,(H,20,22)
InChIKeyOVHFDJBHOQWIHD-UHFFFAOYSA-N
MW343.82 g/mol
LogP3.36
Rot. Bonds6

About 6-[(3-chlorophenyl)methoxy]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazin-2-amine

6-[(3-chlorophenyl)methoxy]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazin-2-amine (PubChem CID 133405618) has the molecular formula C17H18ClN5O and a molecular weight of 343.82 g/mol. Its IUPAC name is 6-[(3-chlorophenyl)methoxy]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-[(3-chlorophenyl)methoxy]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazin-2-amine
PubChem CID133405618
Molecular FormulaC17H18ClN5O
Molecular Weight343.82 g/mol
Exact Mass343.12
IUPAC Name6-[(3-chlorophenyl)methoxy]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazin-2-amine
SMILESCc1c(CNc2cncc(OCc3cccc(Cl)c3)n2)cnn1C
InChIInChI=1S/C17H18ClN5O/c1-12-14(8-21-23(12)2)7-20-16-9-19-10-17(22-16)24-11-13-4-3-5-15(18)6-13/h3-6,8-10H,7,11H2,1-2H3,(H,20,22)
InChIKeyOVHFDJBHOQWIHD-UHFFFAOYSA-N
XLogP3.36
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.82
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-hydrazinylpyrazin-2-amine
CID 106043318
N-[(3-chlorophenyl)methyl]-1,5-dimethylpyrazol-4-amine
CID 115899747
trans-(1S,2S)-2-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]amino]cyclohexan-1-ol
CID 133495474
1-(3-chlorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylmethanamine
CID 22196363
4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylaniline
CID 79578705
(1S,2R)-1-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol
CID 133448139
5-[[4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]piperazin-1-yl]methyl]-1-methylindazole
CID 171678776
(1S)-1-(3-chlorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 81372486
6-phenylmethoxy-N-propylpyrazin-2-amine
CID 80858905
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidine-2,4,6-triamine
CID 114139819
2-(3-chlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethanone
CID 105078195
2-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-methylamino]ethanol
CID 133381567

Frequently Asked Questions

What is the IUPAC name of 6-[(3-chlorophenyl)methoxy]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazin-2-amine?
The IUPAC name of 6-[(3-chlorophenyl)methoxy]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazin-2-amine (CID 133405618) is 6-[(3-chlorophenyl)methoxy]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazin-2-amine.
What is the SMILES notation for 6-[(3-chlorophenyl)methoxy]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazin-2-amine?
The canonical SMILES for 6-[(3-chlorophenyl)methoxy]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazin-2-amine is Cc1c(CNc2cncc(OCc3cccc(Cl)c3)n2)cnn1C.
What is the InChIKey of 6-[(3-chlorophenyl)methoxy]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazin-2-amine?
The InChIKey is OVHFDJBHOQWIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O/c1-12-14(8-21-23(12)2)7-20-16-9-19-10-17(22-16)24-11-13-4-3-5-15(18)6-13/h3-6,8-10H,7,11H2,1-2H3,(H,20,22).
What are the key properties of 6-[(3-chlorophenyl)methoxy]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazin-2-amine?
6-[(3-chlorophenyl)methoxy]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazin-2-amine has a molecular weight of 343.82 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chlorophenyl)methoxy]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazin-2-amine is sourced from PubChem (CID 133405618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).