3-amino-6-chloro-N-(2-hydroxy-1-phenylethyl)-5-(4-methylpyrazol-1-yl)pyrazine-2-carboxamide

C17H17ClN6O2 — CID 135375431

IUPAC3-amino-6-chloro-N-(2-hydroxy-1-phenylethyl)-5-(4-methylpyrazol-1-yl)pyrazine-2-carboxamide
SMILESCc1cnn(-c2nc(N)c(C(=O)NC(CO)c3ccccc3)nc2Cl)c1
InChIInChI=1S/C17H17ClN6O2/c1-10-7-20-24(8-10)16-14(18)22-13(15(19)23-16)17(26)21-12(9-25)11-5-3-2-4-6-11/h2-8,12,25H,9H2,1H3,(H2,19,23)(H,21,26)
InChIKeyVHGIMAQPCOEYMW-UHFFFAOYSA-N
MW372.82 g/mol
LogP1.67
Rot. Bonds5

About 3-amino-6-chloro-N-(2-hydroxy-1-phenylethyl)-5-(4-methylpyrazol-1-yl)pyrazine-2-carboxamide

3-amino-6-chloro-N-(2-hydroxy-1-phenylethyl)-5-(4-methylpyrazol-1-yl)pyrazine-2-carboxamide (PubChem CID 135375431) has the molecular formula C17H17ClN6O2 and a molecular weight of 372.82 g/mol. Its IUPAC name is 3-amino-6-chloro-N-(2-hydroxy-1-phenylethyl)-5-(4-methylpyrazol-1-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-chloro-N-(2-hydroxy-1-phenylethyl)-5-(4-methylpyrazol-1-yl)pyrazine-2-carboxamide
PubChem CID135375431
Molecular FormulaC17H17ClN6O2
Molecular Weight372.82 g/mol
Exact Mass372.11
IUPAC Name3-amino-6-chloro-N-(2-hydroxy-1-phenylethyl)-5-(4-methylpyrazol-1-yl)pyrazine-2-carboxamide
SMILESCc1cnn(-c2nc(N)c(C(=O)NC(CO)c3ccccc3)nc2Cl)c1
InChIInChI=1S/C17H17ClN6O2/c1-10-7-20-24(8-10)16-14(18)22-13(15(19)23-16)17(26)21-12(9-25)11-5-3-2-4-6-11/h2-8,12,25H,9H2,1H3,(H2,19,23)(H,21,26)
InChIKeyVHGIMAQPCOEYMW-UHFFFAOYSA-N
XLogP1.67
TPSA118.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.82
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-6-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]-5-(triazol-2-yl)pyrazine-2-carboxamide
CID 135375507
4-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-1-methylpyrazole-5-carboxamide
CID 107861729
methyl (2R)-2-[[3-amino-6-chloro-5-(triazol-2-yl)pyrazine-2-carbonyl]amino]-3-hydroxypropanoate
CID 121351326
N-(2-hydroxy-1-phenylethyl)-5-methylthiophene-2-carboxamide
CID 63184449
N-[(1R)-2-hydroxy-1-phenylethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 103772742
2-amino-3-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 107861897
N-(2-hydroxy-1-phenylethyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110001205
5-chloro-N-(2-hydroxy-1-phenylethyl)thiophene-2-carboxamide
CID 63182495
3-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-5-methylbenzamide
CID 107861785
4-chloro-N-(2-hydroxy-1-phenylethyl)-6-methylpyridine-3-carboxamide
CID 81226919
2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbenzamide
CID 103945018
N-(2-hydroxy-1-phenylethyl)-6-methylpyridine-2-carboxamide
CID 63184440

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-chloro-N-(2-hydroxy-1-phenylethyl)-5-(4-methylpyrazol-1-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-chloro-N-(2-hydroxy-1-phenylethyl)-5-(4-methylpyrazol-1-yl)pyrazine-2-carboxamide (CID 135375431) is 3-amino-6-chloro-N-(2-hydroxy-1-phenylethyl)-5-(4-methylpyrazol-1-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-chloro-N-(2-hydroxy-1-phenylethyl)-5-(4-methylpyrazol-1-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-chloro-N-(2-hydroxy-1-phenylethyl)-5-(4-methylpyrazol-1-yl)pyrazine-2-carboxamide is Cc1cnn(-c2nc(N)c(C(=O)NC(CO)c3ccccc3)nc2Cl)c1.
What is the InChIKey of 3-amino-6-chloro-N-(2-hydroxy-1-phenylethyl)-5-(4-methylpyrazol-1-yl)pyrazine-2-carboxamide?
The InChIKey is VHGIMAQPCOEYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6O2/c1-10-7-20-24(8-10)16-14(18)22-13(15(19)23-16)17(26)21-12(9-25)11-5-3-2-4-6-11/h2-8,12,25H,9H2,1H3,(H2,19,23)(H,21,26).
What are the key properties of 3-amino-6-chloro-N-(2-hydroxy-1-phenylethyl)-5-(4-methylpyrazol-1-yl)pyrazine-2-carboxamide?
3-amino-6-chloro-N-(2-hydroxy-1-phenylethyl)-5-(4-methylpyrazol-1-yl)pyrazine-2-carboxamide has a molecular weight of 372.82 g/mol, XLogP of 1.67, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-chloro-N-(2-hydroxy-1-phenylethyl)-5-(4-methylpyrazol-1-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 135375431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).