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

C10H10ClN5O — CID 103187169

IUPAC6-chloro-N-[(1-methylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
SMILESCn1cc(CNC(=O)c2cncc(Cl)n2)cn1
InChIInChI=1S/C10H10ClN5O/c1-16-6-7(3-14-16)2-13-10(17)8-4-12-5-9(11)15-8/h3-6H,2H2,1H3,(H,13,17)
InChIKeyPDYFIKUNHGTSAO-UHFFFAOYSA-N
MW251.68 g/mol
LogP0.79
Rot. Bonds3

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

6-chloro-N-[(1-methylpyrazol-4-yl)methyl]pyrazine-2-carboxamide (PubChem CID 103187169) has the molecular formula C10H10ClN5O and a molecular weight of 251.68 g/mol. Its IUPAC name is 6-chloro-N-[(1-methylpyrazol-4-yl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(1-methylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
PubChem CID103187169
Molecular FormulaC10H10ClN5O
Molecular Weight251.68 g/mol
Exact Mass251.06
IUPAC Name6-chloro-N-[(1-methylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
SMILESCn1cc(CNC(=O)c2cncc(Cl)n2)cn1
InChIInChI=1S/C10H10ClN5O/c1-16-6-7(3-14-16)2-13-10(17)8-4-12-5-9(11)15-8/h3-6H,2H2,1H3,(H,13,17)
InChIKeyPDYFIKUNHGTSAO-UHFFFAOYSA-N
XLogP0.79
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.68
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrazine-2-carboxamide
CID 106551138
6-chloro-N-[(1-methylpyrrol-3-yl)methyl]pyrazine-2-carboxamide
CID 106551470
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
N-[(1-methylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 35523459
5-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 63861037
5-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
CID 107375122
2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-5-methylsulfanylbenzamide
CID 19292310
6-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]pyridazine-3-carboxamide
CID 62248075
5-(3-hydroxyprop-1-ynyl)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 62959360
3-amino-4,5-dichloro-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 61349240
4-chloro-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267927
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267637

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(1-methylpyrazol-4-yl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N-[(1-methylpyrazol-4-yl)methyl]pyrazine-2-carboxamide (CID 103187169) is 6-chloro-N-[(1-methylpyrazol-4-yl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[(1-methylpyrazol-4-yl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[(1-methylpyrazol-4-yl)methyl]pyrazine-2-carboxamide is Cn1cc(CNC(=O)c2cncc(Cl)n2)cn1.
What is the InChIKey of 6-chloro-N-[(1-methylpyrazol-4-yl)methyl]pyrazine-2-carboxamide?
The InChIKey is PDYFIKUNHGTSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O/c1-16-6-7(3-14-16)2-13-10(17)8-4-12-5-9(11)15-8/h3-6H,2H2,1H3,(H,13,17).
What are the key properties of 6-chloro-N-[(1-methylpyrazol-4-yl)methyl]pyrazine-2-carboxamide?
6-chloro-N-[(1-methylpyrazol-4-yl)methyl]pyrazine-2-carboxamide has a molecular weight of 251.68 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(1-methylpyrazol-4-yl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 103187169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).