N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]-2-phenylpyrimidine-5-carboxamide

C17H17N5O2 — CID 139007347

IUPACN-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]-2-phenylpyrimidine-5-carboxamide
SMILESCn1cc(C(O)CNC(=O)c2cnc(-c3ccccc3)nc2)cn1
InChIInChI=1S/C17H17N5O2/c1-22-11-14(9-21-22)15(23)10-20-17(24)13-7-18-16(19-8-13)12-5-3-2-4-6-12/h2-9,11,15,23H,10H2,1H3,(H,20,24)
InChIKeyYBHXEEUWJUINRE-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.34
Rot. Bonds5

About N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]-2-phenylpyrimidine-5-carboxamide

N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]-2-phenylpyrimidine-5-carboxamide (PubChem CID 139007347) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]-2-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]-2-phenylpyrimidine-5-carboxamide
PubChem CID139007347
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC NameN-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]-2-phenylpyrimidine-5-carboxamide
SMILESCn1cc(C(O)CNC(=O)c2cnc(-c3ccccc3)nc2)cn1
InChIInChI=1S/C17H17N5O2/c1-22-11-14(9-21-22)15(23)10-20-17(24)13-7-18-16(19-8-13)12-5-3-2-4-6-12/h2-9,11,15,23H,10H2,1H3,(H,20,24)
InChIKeyYBHXEEUWJUINRE-UHFFFAOYSA-N
XLogP1.34
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]-2-phenylpyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-hydroxy-3-phenylpropyl)-2-phenylpyrimidine-5-carboxamide
CID 111471949
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1-methylpyrazole-4-carboxamide
CID 111422596
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]-2-naphthalen-1-ylquinoline-4-carboxamide
CID 167826383
1-methyl-N-(3-methyl-2-phenylbutyl)pyrazole-4-carboxamide
CID 86981269
N-benzyl-6-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 3916665
N-(2-benzamidoethyl)-2-phenylpyrimidine-5-carboxamide
CID 47781848
N-[2-(2-hydroxyethyl)pentyl]-2-phenylpyrimidine-5-carboxamide
CID 111662357
1-(3-fluorophenyl)-N-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]cyclobutane-1-carboxamide
CID 96529236
N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 6542363
N-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)benzamide
CID 110486267
benzyl N-[2,3-dihydroxy-3-(1-methylpyrazol-4-yl)propyl]carbamate
CID 171855323
1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-carboxamide
CID 103723314

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]-2-phenylpyrimidine-5-carboxamide?
The IUPAC name of N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]-2-phenylpyrimidine-5-carboxamide (CID 139007347) is N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]-2-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]-2-phenylpyrimidine-5-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]-2-phenylpyrimidine-5-carboxamide is Cn1cc(C(O)CNC(=O)c2cnc(-c3ccccc3)nc2)cn1.
What is the InChIKey of N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]-2-phenylpyrimidine-5-carboxamide?
The InChIKey is YBHXEEUWJUINRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-22-11-14(9-21-22)15(23)10-20-17(24)13-7-18-16(19-8-13)12-5-3-2-4-6-12/h2-9,11,15,23H,10H2,1H3,(H,20,24).
What are the key properties of N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]-2-phenylpyrimidine-5-carboxamide?
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]-2-phenylpyrimidine-5-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]-2-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 139007347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).