N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide

C17H17N5O4 — CID 70748913

IUPACN-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCc3nc(O)cc(=O)[nH]3)[nH]n2)cc1
InChIInChI=1S/C17H17N5O4/c1-26-11-4-2-10(3-5-11)12-8-13(22-21-12)17(25)18-7-6-14-19-15(23)9-16(24)20-14/h2-5,8-9H,6-7H2,1H3,(H,18,25)(H,21,22)(H2,19,20,23,24)
InChIKeyCOCJXDYBUPHKJT-UHFFFAOYSA-N
MW355.35 g/mol
LogP0.85
Rot. Bonds6

About N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide

N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 70748913) has the molecular formula C17H17N5O4 and a molecular weight of 355.35 g/mol. Its IUPAC name is N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID70748913
Molecular FormulaC17H17N5O4
Molecular Weight355.35 g/mol
Exact Mass355.13
IUPAC NameN-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCc3nc(O)cc(=O)[nH]3)[nH]n2)cc1
InChIInChI=1S/C17H17N5O4/c1-26-11-4-2-10(3-5-11)12-8-13(22-21-12)17(25)18-7-6-14-19-15(23)9-16(24)20-14/h2-5,8-9H,6-7H2,1H3,(H,18,25)(H,21,22)(H2,19,20,23,24)
InChIKeyCOCJXDYBUPHKJT-UHFFFAOYSA-N
XLogP0.85
TPSA132.99 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 50.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 20918235
N-(3-hydroxypropyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 71569743
N-[2-(furan-2-yl)ethyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 71702732
4-[[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]butanoic acid
CID 72910598
N-[2-(2-hydroxyethoxy)ethyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 71713187
N-[2-(diethylamino)ethyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508966
3-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide
CID 70721553
3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
CID 70732817
N-[4-(azepan-1-yl)butyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 70712358
3-(4-methoxyphenyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-1H-pyrazole-5-carboxamide
CID 70773903
3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 20918238
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508772

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide (CID 70748913) is N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)NCCc3nc(O)cc(=O)[nH]3)[nH]n2)cc1.
What is the InChIKey of N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is COCJXDYBUPHKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O4/c1-26-11-4-2-10(3-5-11)12-8-13(22-21-12)17(25)18-7-6-14-19-15(23)9-16(24)20-14/h2-5,8-9H,6-7H2,1H3,(H,18,25)(H,21,22)(H2,19,20,23,24).
What are the key properties of N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide?
N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 355.35 g/mol, XLogP of 0.85, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 70748913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).