7-oxo-5-phenyl-N-(piperidin-2-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H21N5O2 — CID 71200715

IUPAC7-oxo-5-phenyl-N-(piperidin-2-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCC1CCCCN1)c1c[nH]n2c(=O)cc(-c3ccccc3)nc12
InChIInChI=1S/C19H21N5O2/c25-17-10-16(13-6-2-1-3-7-13)23-18-15(12-22-24(17)18)19(26)21-11-14-8-4-5-9-20-14/h1-3,6-7,10,12,14,20,22H,4-5,8-9,11H2,(H,21,26)
InChIKeyDNUMEJDXJPBLJL-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.56
Rot. Bonds4

About 7-oxo-5-phenyl-N-(piperidin-2-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-oxo-5-phenyl-N-(piperidin-2-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 71200715) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 7-oxo-5-phenyl-N-(piperidin-2-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-oxo-5-phenyl-N-(piperidin-2-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID71200715
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name7-oxo-5-phenyl-N-(piperidin-2-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCC1CCCCN1)c1c[nH]n2c(=O)cc(-c3ccccc3)nc12
InChIInChI=1S/C19H21N5O2/c25-17-10-16(13-6-2-1-3-7-13)23-18-15(12-22-24(17)18)19(26)21-11-14-8-4-5-9-20-14/h1-3,6-7,10,12,14,20,22H,4-5,8-9,11H2,(H,21,26)
InChIKeyDNUMEJDXJPBLJL-UHFFFAOYSA-N
XLogP1.56
TPSA91.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methylpiperidin-4-yl)methyl]-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 59333256
N-[(1-ethylpiperidin-4-yl)methyl]-5-(4-fluorophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 59333281
6-oxo-N-(piperidin-2-ylmethyl)-1H-pyridazine-3-carboxamide
CID 103805977
N-cyclopropyl-7-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155775673
1-hydroxy-N-(piperidin-2-ylmethyl)naphthalene-2-carboxamide
CID 43185174
2-phenyl-N-(2-pyrrolidin-2-ylethyl)quinoline-4-carboxamide
CID 162460261
2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide;dihydrochloride
CID 119511849
5-fluoro-2-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 55182007
2-bromo-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119511017
5-(4-cyclohexylphenyl)-3-[(2S)-2-ethylazetidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 158883781
1-methyl-2-oxo-N-(piperidin-2-ylmethyl)pyridine-4-carboxamide
CID 113263742
N-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 50926774

Frequently Asked Questions

What is the IUPAC name of 7-oxo-5-phenyl-N-(piperidin-2-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-oxo-5-phenyl-N-(piperidin-2-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 71200715) is 7-oxo-5-phenyl-N-(piperidin-2-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-oxo-5-phenyl-N-(piperidin-2-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-oxo-5-phenyl-N-(piperidin-2-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NCC1CCCCN1)c1c[nH]n2c(=O)cc(-c3ccccc3)nc12.
What is the InChIKey of 7-oxo-5-phenyl-N-(piperidin-2-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DNUMEJDXJPBLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c25-17-10-16(13-6-2-1-3-7-13)23-18-15(12-22-24(17)18)19(26)21-11-14-8-4-5-9-20-14/h1-3,6-7,10,12,14,20,22H,4-5,8-9,11H2,(H,21,26).
What are the key properties of 7-oxo-5-phenyl-N-(piperidin-2-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-oxo-5-phenyl-N-(piperidin-2-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 1.56, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-5-phenyl-N-(piperidin-2-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 71200715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).