N-[4-[5-cyclopropyl-1-(ethylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide

C21H21N5O3 — CID 154055519

IUPACN-[4-[5-cyclopropyl-1-(ethylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
SMILESCCNC(=O)n1nc(-c2ccc(NC(=O)c3cccnc3)cc2O)cc1C1CC1
InChIInChI=1S/C21H21N5O3/c1-2-23-21(29)26-18(13-5-6-13)11-17(25-26)16-8-7-15(10-19(16)27)24-20(28)14-4-3-9-22-12-14/h3-4,7-13,27H,2,5-6H2,1H3,(H,23,29)(H,24,28)
InChIKeyLUSGVJLMJRNOGN-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.36
Rot. Bonds5

About N-[4-[5-cyclopropyl-1-(ethylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide

N-[4-[5-cyclopropyl-1-(ethylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide (PubChem CID 154055519) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-[4-[5-cyclopropyl-1-(ethylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[5-cyclopropyl-1-(ethylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
PubChem CID154055519
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC NameN-[4-[5-cyclopropyl-1-(ethylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
SMILESCCNC(=O)n1nc(-c2ccc(NC(=O)c3cccnc3)cc2O)cc1C1CC1
InChIInChI=1S/C21H21N5O3/c1-2-23-21(29)26-18(13-5-6-13)11-17(25-26)16-8-7-15(10-19(16)27)24-20(28)14-4-3-9-22-12-14/h3-4,7-13,27H,2,5-6H2,1H3,(H,23,29)(H,24,28)
InChIKeyLUSGVJLMJRNOGN-UHFFFAOYSA-N
XLogP3.36
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[5-cyclopentyl-1-(propylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
CID 154055473
N-[4-[1-(benzylcarbamoyl)-5-cyclopentylpyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
CID 154055504
N-[4-[5-cyclobutyl-1-[(3,4-dichlorophenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
CID 154055470
N-[4-[5-cyclobutyl-1-[(3-fluorophenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
CID 154055507
5-cyclopentyl-3-[2-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-N-propylpyrazole-1-carboxamide
CID 154055874
5-cyclopropyl-3-[4-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]-N-[(2-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 154055856
3-[4-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopropyl-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154056033
2-chloro-N-[4-[5-cyclopentyl-1-(propylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
CID 154055345
5-cyclopropyl-3-[2-hydroxy-4-(propanoylamino)phenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide
CID 154055737
5-cyclopropyl-3-[5-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]-N-propylpyrazole-1-carboxamide
CID 154054872
5-cyclopentyl-3-[4-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154055837
5-cyclobutyl-N-[(3,4-dichlorophenyl)methyl]-3-[4-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154055851

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-cyclopropyl-1-(ethylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[5-cyclopropyl-1-(ethylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide (CID 154055519) is N-[4-[5-cyclopropyl-1-(ethylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[5-cyclopropyl-1-(ethylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[5-cyclopropyl-1-(ethylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide is CCNC(=O)n1nc(-c2ccc(NC(=O)c3cccnc3)cc2O)cc1C1CC1.
What is the InChIKey of N-[4-[5-cyclopropyl-1-(ethylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide?
The InChIKey is LUSGVJLMJRNOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-2-23-21(29)26-18(13-5-6-13)11-17(25-26)16-8-7-15(10-19(16)27)24-20(28)14-4-3-9-22-12-14/h3-4,7-13,27H,2,5-6H2,1H3,(H,23,29)(H,24,28).
What are the key properties of N-[4-[5-cyclopropyl-1-(ethylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide?
N-[4-[5-cyclopropyl-1-(ethylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 3.36, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-cyclopropyl-1-(ethylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 154055519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).