5-[(4-chloro-5-methylpyrazol-1-yl)methyl]-N-methylpyrazin-2-amine

C10H12ClN5 — CID 103057413

IUPAC5-[(4-chloro-5-methylpyrazol-1-yl)methyl]-N-methylpyrazin-2-amine
SMILESCNc1cnc(Cn2ncc(Cl)c2C)cn1
InChIInChI=1S/C10H12ClN5/c1-7-9(11)4-15-16(7)6-8-3-14-10(12-2)5-13-8/h3-5H,6H2,1-2H3,(H,12,14)
InChIKeyBQOVGPDAMYOGRM-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.72
Rot. Bonds3

About 5-[(4-chloro-5-methylpyrazol-1-yl)methyl]-N-methylpyrazin-2-amine

5-[(4-chloro-5-methylpyrazol-1-yl)methyl]-N-methylpyrazin-2-amine (PubChem CID 103057413) has the molecular formula C10H12ClN5 and a molecular weight of 237.69 g/mol. Its IUPAC name is 5-[(4-chloro-5-methylpyrazol-1-yl)methyl]-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name5-[(4-chloro-5-methylpyrazol-1-yl)methyl]-N-methylpyrazin-2-amine
PubChem CID103057413
Molecular FormulaC10H12ClN5
Molecular Weight237.69 g/mol
Exact Mass237.08
IUPAC Name5-[(4-chloro-5-methylpyrazol-1-yl)methyl]-N-methylpyrazin-2-amine
SMILESCNc1cnc(Cn2ncc(Cl)c2C)cn1
InChIInChI=1S/C10H12ClN5/c1-7-9(11)4-15-16(7)6-8-3-14-10(12-2)5-13-8/h3-5H,6H2,1-2H3,(H,12,14)
InChIKeyBQOVGPDAMYOGRM-UHFFFAOYSA-N
XLogP1.72
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

US9932325, Example 72
CID 132244646
2-chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)pyrazine
CID 43260433
US11214565, Example D-154
CID 140943431
4-N-methyl-2-N-[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidine-2,4,5-triamine
CID 68094425
4-N-methyl-2-N-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidine-2,4,5-triamine
CID 68094429
2-N-(1,5-dimethylpyrazol-4-yl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4,5-triamine
CID 69281467
5-chloro-4-N-(2,2-difluoroethyl)-2-N-(1,5-dimethylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 71612465
4-N-(2,2-difluoroethyl)-2-N-(1,5-dimethylpyrazol-4-yl)pyrimidine-2,4,5-triamine
CID 87765469
(1S)-1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]ethanamine
CID 129073645
1-[5-(4-Fluoropyrazol-1-yl)pyrazin-2-yl]ethanamine
CID 129105061
[5-[3-(Difluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methanamine
CID 134192940
5-Chloro-2-[[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]-4-(sulfamoylamino)pyrimidine
CID 146271187

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-5-methylpyrazol-1-yl)methyl]-N-methylpyrazin-2-amine?
The IUPAC name of 5-[(4-chloro-5-methylpyrazol-1-yl)methyl]-N-methylpyrazin-2-amine (CID 103057413) is 5-[(4-chloro-5-methylpyrazol-1-yl)methyl]-N-methylpyrazin-2-amine.
What is the SMILES notation for 5-[(4-chloro-5-methylpyrazol-1-yl)methyl]-N-methylpyrazin-2-amine?
The canonical SMILES for 5-[(4-chloro-5-methylpyrazol-1-yl)methyl]-N-methylpyrazin-2-amine is CNc1cnc(Cn2ncc(Cl)c2C)cn1.
What is the InChIKey of 5-[(4-chloro-5-methylpyrazol-1-yl)methyl]-N-methylpyrazin-2-amine?
The InChIKey is BQOVGPDAMYOGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5/c1-7-9(11)4-15-16(7)6-8-3-14-10(12-2)5-13-8/h3-5H,6H2,1-2H3,(H,12,14).
What are the key properties of 5-[(4-chloro-5-methylpyrazol-1-yl)methyl]-N-methylpyrazin-2-amine?
5-[(4-chloro-5-methylpyrazol-1-yl)methyl]-N-methylpyrazin-2-amine has a molecular weight of 237.69 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-5-methylpyrazol-1-yl)methyl]-N-methylpyrazin-2-amine is sourced from PubChem (CID 103057413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).