N-ethyl-4-(2-hydroxy-1-phenyl-2H-pyridin-5-yl)pyrazole-1-carboxamide

C17H18N4O2 — CID 129093326

IUPACN-ethyl-4-(2-hydroxy-1-phenyl-2H-pyridin-5-yl)pyrazole-1-carboxamide
SMILESCCNC(=O)n1cc(C2=CN(c3ccccc3)C(O)C=C2)cn1
InChIInChI=1S/C17H18N4O2/c1-2-18-17(23)21-12-14(10-19-21)13-8-9-16(22)20(11-13)15-6-4-3-5-7-15/h3-12,16,22H,2H2,1H3,(H,18,23)
InChIKeyRFAYJELOJVTYIL-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.20
Rot. Bonds3

About N-ethyl-4-(2-hydroxy-1-phenyl-2H-pyridin-5-yl)pyrazole-1-carboxamide

N-ethyl-4-(2-hydroxy-1-phenyl-2H-pyridin-5-yl)pyrazole-1-carboxamide (PubChem CID 129093326) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-ethyl-4-(2-hydroxy-1-phenyl-2H-pyridin-5-yl)pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-(2-hydroxy-1-phenyl-2H-pyridin-5-yl)pyrazole-1-carboxamide
PubChem CID129093326
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-ethyl-4-(2-hydroxy-1-phenyl-2H-pyridin-5-yl)pyrazole-1-carboxamide
SMILESCCNC(=O)n1cc(C2=CN(c3ccccc3)C(O)C=C2)cn1
InChIInChI=1S/C17H18N4O2/c1-2-18-17(23)21-12-14(10-19-21)13-8-9-16(22)20(11-13)15-6-4-3-5-7-15/h3-12,16,22H,2H2,1H3,(H,18,23)
InChIKeyRFAYJELOJVTYIL-UHFFFAOYSA-N
XLogP2.20
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,4-diethylpyrazole-1-carboxamide
CID 155403649
N-ethyl-3-phenyl-4-(1,2,4-triazol-1-yl)pyrazole-1-carboxamide
CID 1486536
4-methyl-N-[[7-[[1-[[7-[1-(naphthalen-2-ylmethylcarbamoyl)pyrazol-4-yl]naphthalen-2-yl]methylcarbamoyl]pyrazol-4-yl]methyl]naphthalen-2-yl]methyl]pyrazole-1-carboxamide
CID 123422168
N-butyl-4-chloropyrazole-1-carboxamide
CID 17365614
1,3-diethyl-2-[(1-phenylpyrazol-4-yl)methyl]guanidine
CID 75406975
(2S)-2-(4-phenylpyrazol-1-yl)-N-propylpropanamide
CID 100830723
N-ethyl-3-phenylimidazole-4-carboxamide
CID 47109591
2-[4-(2-aminophenyl)pyrazol-1-yl]-N-ethylpropanamide
CID 63338077
(1,3-diphenylpyrazol-4-yl)methyl-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-methylazanium
CID 8915264
2-(4-aminopyrazol-1-yl)-N-ethyl-2-methylpropanamide
CID 90104259
N-ethyl-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 71131088
methyl 2-(ethylamino)-3-(4-phenylpyrazol-1-yl)propanoate
CID 62771523

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-hydroxy-1-phenyl-2H-pyridin-5-yl)pyrazole-1-carboxamide?
The IUPAC name of N-ethyl-4-(2-hydroxy-1-phenyl-2H-pyridin-5-yl)pyrazole-1-carboxamide (CID 129093326) is N-ethyl-4-(2-hydroxy-1-phenyl-2H-pyridin-5-yl)pyrazole-1-carboxamide.
What is the SMILES notation for N-ethyl-4-(2-hydroxy-1-phenyl-2H-pyridin-5-yl)pyrazole-1-carboxamide?
The canonical SMILES for N-ethyl-4-(2-hydroxy-1-phenyl-2H-pyridin-5-yl)pyrazole-1-carboxamide is CCNC(=O)n1cc(C2=CN(c3ccccc3)C(O)C=C2)cn1.
What is the InChIKey of N-ethyl-4-(2-hydroxy-1-phenyl-2H-pyridin-5-yl)pyrazole-1-carboxamide?
The InChIKey is RFAYJELOJVTYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-2-18-17(23)21-12-14(10-19-21)13-8-9-16(22)20(11-13)15-6-4-3-5-7-15/h3-12,16,22H,2H2,1H3,(H,18,23).
What are the key properties of N-ethyl-4-(2-hydroxy-1-phenyl-2H-pyridin-5-yl)pyrazole-1-carboxamide?
N-ethyl-4-(2-hydroxy-1-phenyl-2H-pyridin-5-yl)pyrazole-1-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-hydroxy-1-phenyl-2H-pyridin-5-yl)pyrazole-1-carboxamide is sourced from PubChem (CID 129093326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).