3-amino-N-[1-[[3-methyl-5-(propylcarbamoyl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide

C20H23N7O2 — CID 155212389

IUPAC3-amino-N-[1-[[3-methyl-5-(propylcarbamoyl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide
SMILESCCCNC(=O)c1cc(C)cc(Cn2cc(NC(=O)c3nccnc3N)cn2)c1
InChIInChI=1S/C20H23N7O2/c1-3-4-24-19(28)15-8-13(2)7-14(9-15)11-27-12-16(10-25-27)26-20(29)17-18(21)23-6-5-22-17/h5-10,12H,3-4,11H2,1-2H3,(H2,21,23)(H,24,28)(H,26,29)
InChIKeyIWFJVFFDSOAZAZ-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.00
Rot. Bonds7

About 3-amino-N-[1-[[3-methyl-5-(propylcarbamoyl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide

3-amino-N-[1-[[3-methyl-5-(propylcarbamoyl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide (PubChem CID 155212389) has the molecular formula C20H23N7O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 3-amino-N-[1-[[3-methyl-5-(propylcarbamoyl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-[[3-methyl-5-(propylcarbamoyl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide
PubChem CID155212389
Molecular FormulaC20H23N7O2
Molecular Weight393.45 g/mol
Exact Mass393.19
IUPAC Name3-amino-N-[1-[[3-methyl-5-(propylcarbamoyl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide
SMILESCCCNC(=O)c1cc(C)cc(Cn2cc(NC(=O)c3nccnc3N)cn2)c1
InChIInChI=1S/C20H23N7O2/c1-3-4-24-19(28)15-8-13(2)7-14(9-15)11-27-12-16(10-25-27)26-20(29)17-18(21)23-6-5-22-17/h5-10,12H,3-4,11H2,1-2H3,(H2,21,23)(H,24,28)(H,26,29)
InChIKeyIWFJVFFDSOAZAZ-UHFFFAOYSA-N
XLogP2.00
TPSA127.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-N-[1-[[3-chloro-5-(propan-2-ylcarbamoyl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 155212378
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N-[1-[(3-acetamidophenyl)methyl]pyrazol-4-yl]-3-aminopyrazine-2-carboxamide
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5-[[4-[(3-aminopyrazine-2-carbonyl)amino]pyrazol-1-yl]methyl]-2-fluorobenzoic acid
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3-amino-N-[1-[(3-amino-2-chlorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 155212551
3-amino-N-[1-[[3-(1-propan-2-ylpiperidin-4-yl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide;formamide
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3-amino-N-hexylpyrazine-2-carboxamide
CID 32647019

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-[[3-methyl-5-(propylcarbamoyl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[1-[[3-methyl-5-(propylcarbamoyl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide (CID 155212389) is 3-amino-N-[1-[[3-methyl-5-(propylcarbamoyl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[1-[[3-methyl-5-(propylcarbamoyl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[1-[[3-methyl-5-(propylcarbamoyl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide is CCCNC(=O)c1cc(C)cc(Cn2cc(NC(=O)c3nccnc3N)cn2)c1.
What is the InChIKey of 3-amino-N-[1-[[3-methyl-5-(propylcarbamoyl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide?
The InChIKey is IWFJVFFDSOAZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O2/c1-3-4-24-19(28)15-8-13(2)7-14(9-15)11-27-12-16(10-25-27)26-20(29)17-18(21)23-6-5-22-17/h5-10,12H,3-4,11H2,1-2H3,(H2,21,23)(H,24,28)(H,26,29).
What are the key properties of 3-amino-N-[1-[[3-methyl-5-(propylcarbamoyl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide?
3-amino-N-[1-[[3-methyl-5-(propylcarbamoyl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 2.00, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-[[3-methyl-5-(propylcarbamoyl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 155212389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).