N-[(1-methylpiperidin-4-yl)methyl]-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H23N5O2 — CID 59333256

IUPACN-[(1-methylpiperidin-4-yl)methyl]-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCC(CNC(=O)c2c[nH]n3c(=O)cc(-c4ccccc4)nc23)CC1
InChIInChI=1S/C20H23N5O2/c1-24-9-7-14(8-10-24)12-21-20(27)16-13-22-25-18(26)11-17(23-19(16)25)15-5-3-2-4-6-15/h2-6,11,13-14,22H,7-10,12H2,1H3,(H,21,27)
InChIKeyCJTMZEBRLYZJLX-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.76
Rot. Bonds4

About N-[(1-methylpiperidin-4-yl)methyl]-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1-methylpiperidin-4-yl)methyl]-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 59333256) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-[(1-methylpiperidin-4-yl)methyl]-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-methylpiperidin-4-yl)methyl]-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID59333256
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-[(1-methylpiperidin-4-yl)methyl]-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCC(CNC(=O)c2c[nH]n3c(=O)cc(-c4ccccc4)nc23)CC1
InChIInChI=1S/C20H23N5O2/c1-24-9-7-14(8-10-24)12-21-20(27)16-13-22-25-18(26)11-17(23-19(16)25)15-5-3-2-4-6-15/h2-6,11,13-14,22H,7-10,12H2,1H3,(H,21,27)
InChIKeyCJTMZEBRLYZJLX-UHFFFAOYSA-N
XLogP1.76
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethylpiperidin-4-yl)methyl]-5-(4-fluorophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 59333281
7-oxo-5-phenyl-N-(piperidin-2-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 71200715
1-methyl-3-phenyl-N-(piperidin-4-ylmethyl)pyrazole-5-carboxamide
CID 138055578
N-[(1-methylpyrrolidin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110746157
5-(4-ethoxyphenyl)-N-[3-(2-methylimidazol-1-yl)propyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 164541025
N-[(1-methylpiperidin-4-yl)methyl]-1H-indazole-3-carboxamide
CID 18695627
1-amino-N-[(1-methylpyrrolidin-3-yl)methyl]isoquinoline-3-carboxamide
CID 62160626
1,5-dimethyl-N-[[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methyl]pyrazole-3-carboxamide
CID 131927320
5-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46973392
2-bromo-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 113255665
5-cyclopropyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 83678981
5-(4-cyclohexylphenyl)-3-[(2S)-2-ethylazetidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 158883781

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 59333256) is N-[(1-methylpiperidin-4-yl)methyl]-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1-methylpiperidin-4-yl)methyl]-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1-methylpiperidin-4-yl)methyl]-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1CCC(CNC(=O)c2c[nH]n3c(=O)cc(-c4ccccc4)nc23)CC1.
What is the InChIKey of N-[(1-methylpiperidin-4-yl)methyl]-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is CJTMZEBRLYZJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-24-9-7-14(8-10-24)12-21-20(27)16-13-22-25-18(26)11-17(23-19(16)25)15-5-3-2-4-6-15/h2-6,11,13-14,22H,7-10,12H2,1H3,(H,21,27).
What are the key properties of N-[(1-methylpiperidin-4-yl)methyl]-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1-methylpiperidin-4-yl)methyl]-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-4-yl)methyl]-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 59333256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).