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

C19H19N7O2 — CID 155212808

IUPAC3-amino-N-[1-[[3-(2-methylprop-2-enoylamino)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide
SMILESC=C(C)C(=O)Nc1cccc(Cn2cc(NC(=O)c3nccnc3N)cn2)c1
InChIInChI=1S/C19H19N7O2/c1-12(2)18(27)24-14-5-3-4-13(8-14)10-26-11-15(9-23-26)25-19(28)16-17(20)22-7-6-21-16/h3-9,11H,1,10H2,2H3,(H2,20,22)(H,24,27)(H,25,28)
InChIKeyUWDCPWMBBMCXQZ-UHFFFAOYSA-N
MW377.41 g/mol
LogP2.07
Rot. Bonds6

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

3-amino-N-[1-[[3-(2-methylprop-2-enoylamino)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide (PubChem CID 155212808) has the molecular formula C19H19N7O2 and a molecular weight of 377.41 g/mol. Its IUPAC name is 3-amino-N-[1-[[3-(2-methylprop-2-enoylamino)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-[[3-(2-methylprop-2-enoylamino)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide
PubChem CID155212808
Molecular FormulaC19H19N7O2
Molecular Weight377.41 g/mol
Exact Mass377.16
IUPAC Name3-amino-N-[1-[[3-(2-methylprop-2-enoylamino)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide
SMILESC=C(C)C(=O)Nc1cccc(Cn2cc(NC(=O)c3nccnc3N)cn2)c1
InChIInChI=1S/C19H19N7O2/c1-12(2)18(27)24-14-5-3-4-13(8-14)10-26-11-15(9-23-26)25-19(28)16-17(20)22-7-6-21-16/h3-9,11H,1,10H2,2H3,(H2,20,22)(H,24,27)(H,25,28)
InChIKeyUWDCPWMBBMCXQZ-UHFFFAOYSA-N
XLogP2.07
TPSA127.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[1-[(3-acetamidophenyl)methyl]pyrazol-4-yl]-3-aminopyrazine-2-carboxamide
CID 155212371
3-amino-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 155212469
3-amino-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 155212451
3-amino-N-[1-[(2-hydroxyphenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 155220772
5-[[4-[(3-aminopyrazine-2-carbonyl)amino]pyrazol-1-yl]methyl]-2-fluorobenzoic acid
CID 155220646
3-amino-N-[1-[[3-(2-cyclohexylethylcarbamoyl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 155212657
3-amino-N-[1-[[3-(1-propan-2-ylpiperidin-4-yl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide;formamide
CID 155712536
3-amino-N-[1-[(2,3-difluorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 155212408
3-amino-N-[1-[(3-amino-2-chlorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 155212551
3-amino-N-[1-[[3-methyl-5-(propylcarbamoyl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 155212389
3-amino-N-[1-[[3-chloro-5-(propan-2-ylcarbamoyl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 155212378
4,5-dibromo-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1H-pyrazole-3-carboxamide
CID 19508563

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-[[3-(2-methylprop-2-enoylamino)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[1-[[3-(2-methylprop-2-enoylamino)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide (CID 155212808) is 3-amino-N-[1-[[3-(2-methylprop-2-enoylamino)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[1-[[3-(2-methylprop-2-enoylamino)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[1-[[3-(2-methylprop-2-enoylamino)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide is C=C(C)C(=O)Nc1cccc(Cn2cc(NC(=O)c3nccnc3N)cn2)c1.
What is the InChIKey of 3-amino-N-[1-[[3-(2-methylprop-2-enoylamino)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide?
The InChIKey is UWDCPWMBBMCXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O2/c1-12(2)18(27)24-14-5-3-4-13(8-14)10-26-11-15(9-23-26)25-19(28)16-17(20)22-7-6-21-16/h3-9,11H,1,10H2,2H3,(H2,20,22)(H,24,27)(H,25,28).
What are the key properties of 3-amino-N-[1-[[3-(2-methylprop-2-enoylamino)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide?
3-amino-N-[1-[[3-(2-methylprop-2-enoylamino)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide has a molecular weight of 377.41 g/mol, XLogP of 2.07, 6 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-(2-methylprop-2-enoylamino)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 155212808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).