N-(4-chlorophenyl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]acetamide

C17H17ClN6O — CID 133284003

IUPACN-(4-chlorophenyl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]acetamide
SMILESCc1cc(C)n(-c2cncc(NCC(=O)Nc3ccc(Cl)cc3)n2)n1
InChIInChI=1S/C17H17ClN6O/c1-11-7-12(2)24(23-11)16-9-19-8-15(22-16)20-10-17(25)21-14-5-3-13(18)4-6-14/h3-9H,10H2,1-2H3,(H,20,22)(H,21,25)
InChIKeyHBBVAUTXKNJROQ-UHFFFAOYSA-N
MW356.82 g/mol
LogP2.98
Rot. Bonds5

About N-(4-chlorophenyl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]acetamide

N-(4-chlorophenyl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]acetamide (PubChem CID 133284003) has the molecular formula C17H17ClN6O and a molecular weight of 356.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]acetamide
PubChem CID133284003
Molecular FormulaC17H17ClN6O
Molecular Weight356.82 g/mol
Exact Mass356.12
IUPAC NameN-(4-chlorophenyl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]acetamide
SMILESCc1cc(C)n(-c2cncc(NCC(=O)Nc3ccc(Cl)cc3)n2)n1
InChIInChI=1S/C17H17ClN6O/c1-11-7-12(2)24(23-11)16-9-19-8-15(22-16)20-10-17(25)21-14-5-3-13(18)4-6-14/h3-9H,10H2,1-2H3,(H,20,22)(H,21,25)
InChIKeyHBBVAUTXKNJROQ-UHFFFAOYSA-N
XLogP2.98
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.82
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 25230411
2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]acetic acid
CID 122047288
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]ethanone
CID 133284170
[2-(4-chloroanilino)-2-oxoethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate
CID 55305571
N-benzyl-3-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propanamide
CID 133284708
2-(2-chlorophenyl)-1-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propan-2-ol
CID 133472206
4-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide
CID 34846987
(2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propan-1-ol
CID 133428096
N-(4-chlorophenyl)-2-[(1-methylpyrazol-3-yl)amino]acetamide
CID 79779586
3-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]-1-piperidin-1-ylpropan-1-one
CID 133283577
(2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propanoic acid
CID 122049461
6-(3,5-dimethylpyrazol-1-yl)-N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine
CID 133283429

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]acetamide (CID 133284003) is N-(4-chlorophenyl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]acetamide is Cc1cc(C)n(-c2cncc(NCC(=O)Nc3ccc(Cl)cc3)n2)n1.
What is the InChIKey of N-(4-chlorophenyl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]acetamide?
The InChIKey is HBBVAUTXKNJROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6O/c1-11-7-12(2)24(23-11)16-9-19-8-15(22-16)20-10-17(25)21-14-5-3-13(18)4-6-14/h3-9H,10H2,1-2H3,(H,20,22)(H,21,25).
What are the key properties of N-(4-chlorophenyl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]acetamide?
N-(4-chlorophenyl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]acetamide has a molecular weight of 356.82 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]acetamide is sourced from PubChem (CID 133284003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).