6-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrazine-2-carboxamide

C11H12ClN5O — CID 106551138

IUPAC6-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrazine-2-carboxamide
SMILESCn1cc(CCNC(=O)c2cncc(Cl)n2)cn1
InChIInChI=1S/C11H12ClN5O/c1-17-7-8(4-15-17)2-3-14-11(18)9-5-13-6-10(12)16-9/h4-7H,2-3H2,1H3,(H,14,18)
InChIKeyZNOFFXLMXPTPAJ-UHFFFAOYSA-N
MW265.70 g/mol
LogP0.84
Rot. Bonds4

About 6-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrazine-2-carboxamide

6-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrazine-2-carboxamide (PubChem CID 106551138) has the molecular formula C11H12ClN5O and a molecular weight of 265.70 g/mol. Its IUPAC name is 6-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrazine-2-carboxamide
PubChem CID106551138
Molecular FormulaC11H12ClN5O
Molecular Weight265.70 g/mol
Exact Mass265.07
IUPAC Name6-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrazine-2-carboxamide
SMILESCn1cc(CCNC(=O)c2cncc(Cl)n2)cn1
InChIInChI=1S/C11H12ClN5O/c1-17-7-8(4-15-17)2-3-14-11(18)9-5-13-6-10(12)16-9/h4-7H,2-3H2,1H3,(H,14,18)
InChIKeyZNOFFXLMXPTPAJ-UHFFFAOYSA-N
XLogP0.84
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-[(1-methylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
CID 103187169
2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 47445429
6-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 112731793
4-chloro-2-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 112731782
5-hydrazinyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2-carboxamide
CID 113436378
5,6-dichloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 78968072
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylurea
CID 47239068
2,5-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 110474312
3-chloro-4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 47291440
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-oxopentanamide
CID 80682207
2-chloro-N-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]acetamide
CID 80688704
N-[2-(1-methylpyrazol-4-yl)ethyl]-5-(propylamino)pyrazine-2-carboxamide
CID 107376316

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrazine-2-carboxamide (CID 106551138) is 6-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrazine-2-carboxamide is Cn1cc(CCNC(=O)c2cncc(Cl)n2)cn1.
What is the InChIKey of 6-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrazine-2-carboxamide?
The InChIKey is ZNOFFXLMXPTPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O/c1-17-7-8(4-15-17)2-3-14-11(18)9-5-13-6-10(12)16-9/h4-7H,2-3H2,1H3,(H,14,18).
What are the key properties of 6-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrazine-2-carboxamide?
6-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrazine-2-carboxamide has a molecular weight of 265.70 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 106551138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).