N-[4-[(dimethylamino)methyl]phenyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide

C17H19N5O2 — CID 166360930

IUPACN-[4-[(dimethylamino)methyl]phenyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1cn2nc(C(=O)Nc3ccc(CN(C)C)cc3)cc2c(=O)[nH]1
InChIInChI=1S/C17H19N5O2/c1-11-9-22-15(17(24)18-11)8-14(20-22)16(23)19-13-6-4-12(5-7-13)10-21(2)3/h4-9H,10H2,1-3H3,(H,18,24)(H,19,23)
InChIKeyXHFMRPPFYINMBD-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.64
Rot. Bonds4

About N-[4-[(dimethylamino)methyl]phenyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide

N-[4-[(dimethylamino)methyl]phenyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 166360930) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[4-[(dimethylamino)methyl]phenyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(dimethylamino)methyl]phenyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID166360930
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC NameN-[4-[(dimethylamino)methyl]phenyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1cn2nc(C(=O)Nc3ccc(CN(C)C)cc3)cc2c(=O)[nH]1
InChIInChI=1S/C17H19N5O2/c1-11-9-22-15(17(24)18-11)8-14(20-22)16(23)19-13-6-4-12(5-7-13)10-21(2)3/h4-9H,10H2,1-3H3,(H,18,24)(H,19,23)
InChIKeyXHFMRPPFYINMBD-UHFFFAOYSA-N
XLogP1.64
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(dimethylamino)methyl]phenyl]-4-methylbenzamide
CID 37243297
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 166262730
N-[4-[(dimethylamino)methyl]phenyl]-4-iodobenzamide
CID 31416592
2-(aminomethyl)-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 121199457
2,6-dichloro-N-[4-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide
CID 106993306
2-bromo-N-[4-[(dimethylamino)methyl]phenyl]-5-methylbenzamide
CID 80973223
4-ethoxy-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 91891230
2-amino-N-[4-[(dimethylamino)methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 62794096
4-[4-[(dimethylamino)methyl]phenyl]-N-(4-formylphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 155431435
6-chloro-4-[4-[(dimethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]pyridine-2-carboxamide
CID 175100131
N-(3,4-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 41248002
N-[4-[(dimethylamino)methyl]phenyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 31416820

Frequently Asked Questions

What is the IUPAC name of N-[4-[(dimethylamino)methyl]phenyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of N-[4-[(dimethylamino)methyl]phenyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 166360930) is N-[4-[(dimethylamino)methyl]phenyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-[(dimethylamino)methyl]phenyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for N-[4-[(dimethylamino)methyl]phenyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide is Cc1cn2nc(C(=O)Nc3ccc(CN(C)C)cc3)cc2c(=O)[nH]1.
What is the InChIKey of N-[4-[(dimethylamino)methyl]phenyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is XHFMRPPFYINMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-11-9-22-15(17(24)18-11)8-14(20-22)16(23)19-13-6-4-12(5-7-13)10-21(2)3/h4-9H,10H2,1-3H3,(H,18,24)(H,19,23).
What are the key properties of N-[4-[(dimethylamino)methyl]phenyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
N-[4-[(dimethylamino)methyl]phenyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(dimethylamino)methyl]phenyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 166360930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).