N-[4-(2-hydroxyethyl)phenyl]-3-oxo-2-pyrimidin-2-yl-1H-pyrazole-5-carboxamide

C16H15N5O3 — CID 171779212

IUPACN-[4-(2-hydroxyethyl)phenyl]-3-oxo-2-pyrimidin-2-yl-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(CCO)cc1)c1cc(=O)n(-c2ncccn2)[nH]1
InChIInChI=1S/C16H15N5O3/c22-9-6-11-2-4-12(5-3-11)19-15(24)13-10-14(23)21(20-13)16-17-7-1-8-18-16/h1-5,7-8,10,20,22H,6,9H2,(H,19,24)
InChIKeyHJRSOTTYJIBMJN-UHFFFAOYSA-N
MW325.33 g/mol
LogP0.74
Rot. Bonds5

About N-[4-(2-hydroxyethyl)phenyl]-3-oxo-2-pyrimidin-2-yl-1H-pyrazole-5-carboxamide

N-[4-(2-hydroxyethyl)phenyl]-3-oxo-2-pyrimidin-2-yl-1H-pyrazole-5-carboxamide (PubChem CID 171779212) has the molecular formula C16H15N5O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is N-[4-(2-hydroxyethyl)phenyl]-3-oxo-2-pyrimidin-2-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyethyl)phenyl]-3-oxo-2-pyrimidin-2-yl-1H-pyrazole-5-carboxamide
PubChem CID171779212
Molecular FormulaC16H15N5O3
Molecular Weight325.33 g/mol
Exact Mass325.12
IUPAC NameN-[4-(2-hydroxyethyl)phenyl]-3-oxo-2-pyrimidin-2-yl-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(CCO)cc1)c1cc(=O)n(-c2ncccn2)[nH]1
InChIInChI=1S/C16H15N5O3/c22-9-6-11-2-4-12(5-3-11)19-15(24)13-10-14(23)21(20-13)16-17-7-1-8-18-16/h1-5,7-8,10,20,22H,6,9H2,(H,19,24)
InChIKeyHJRSOTTYJIBMJN-UHFFFAOYSA-N
XLogP0.74
TPSA112.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2-hydroxyethyl)phenyl]pyridine-2-carboxamide
CID 61223962
3-amino-N-[4-(2-hydroxyethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 64524679
3-amino-N-[4-(2-hydroxyethyl)phenyl]pyridine-2-carboxamide
CID 104741943
N-[4-(2-hydroxyethyl)phenyl]-2-methoxypyridine-3-carboxamide
CID 61223971
5-hydrazinyl-N-[4-(2-hydroxyethyl)phenyl]pyridine-2-carboxamide
CID 104642279
3-ethoxy-N-[4-(2-hydroxyethyl)phenyl]pyridine-2-carboxamide
CID 71968920
2-hydroxy-N-[4-(2-hydroxyethyl)phenyl]benzamide
CID 61221414
5-chloro-N-[4-(2-hydroxyethyl)phenyl]quinoline-8-carboxamide
CID 110922888
N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 3295905
N-[4-(2-hydroxyethyl)phenyl]pyrimidine-5-carboxamide
CID 104627400
2-[[4-(2-hydroxyethyl)phenyl]carbamoyl]benzoic acid
CID 61236618
5,6-dichloro-N-[4-(2-hydroxyethyl)phenyl]pyridine-3-carboxamide
CID 51985204

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyethyl)phenyl]-3-oxo-2-pyrimidin-2-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[4-(2-hydroxyethyl)phenyl]-3-oxo-2-pyrimidin-2-yl-1H-pyrazole-5-carboxamide (CID 171779212) is N-[4-(2-hydroxyethyl)phenyl]-3-oxo-2-pyrimidin-2-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-(2-hydroxyethyl)phenyl]-3-oxo-2-pyrimidin-2-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[4-(2-hydroxyethyl)phenyl]-3-oxo-2-pyrimidin-2-yl-1H-pyrazole-5-carboxamide is O=C(Nc1ccc(CCO)cc1)c1cc(=O)n(-c2ncccn2)[nH]1.
What is the InChIKey of N-[4-(2-hydroxyethyl)phenyl]-3-oxo-2-pyrimidin-2-yl-1H-pyrazole-5-carboxamide?
The InChIKey is HJRSOTTYJIBMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3/c22-9-6-11-2-4-12(5-3-11)19-15(24)13-10-14(23)21(20-13)16-17-7-1-8-18-16/h1-5,7-8,10,20,22H,6,9H2,(H,19,24).
What are the key properties of N-[4-(2-hydroxyethyl)phenyl]-3-oxo-2-pyrimidin-2-yl-1H-pyrazole-5-carboxamide?
N-[4-(2-hydroxyethyl)phenyl]-3-oxo-2-pyrimidin-2-yl-1H-pyrazole-5-carboxamide has a molecular weight of 325.33 g/mol, XLogP of 0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxyethyl)phenyl]-3-oxo-2-pyrimidin-2-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 171779212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).