N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-5-methyl-1-propan-2-ylpyrazole-4-carboxamide

C18H19N5O2 — CID 136519991

IUPACN-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-5-methyl-1-propan-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cnc(-c3cccc(O)c3)nc2)cnn1C(C)C
InChIInChI=1S/C18H19N5O2/c1-11(2)23-12(3)16(10-21-23)18(25)22-14-8-19-17(20-9-14)13-5-4-6-15(24)7-13/h4-11,24H,1-3H3,(H,22,25)
InChIKeySIIVCTGISMNANW-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.19
Rot. Bonds4

About N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-5-methyl-1-propan-2-ylpyrazole-4-carboxamide

N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-5-methyl-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 136519991) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-5-methyl-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-5-methyl-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID136519991
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC NameN-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-5-methyl-1-propan-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cnc(-c3cccc(O)c3)nc2)cnn1C(C)C
InChIInChI=1S/C18H19N5O2/c1-11(2)23-12(3)16(10-21-23)18(25)22-14-8-19-17(20-9-14)13-5-4-6-15(24)7-13/h4-11,24H,1-3H3,(H,22,25)
InChIKeySIIVCTGISMNANW-UHFFFAOYSA-N
XLogP3.19
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1-methylpyrrole-2-carboxamide
CID 75436300
6-(4-methylphenyl)-N-(2-phenylpyrimidin-5-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 139015894
2-chloro-4-[(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]benzoic acid
CID 120515648
N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-3,7-dimethyl-1-benzofuran-2-carboxamide
CID 56522299
(2S)-2-(2,3-dichlorophenoxy)-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide
CID 52523220
(2R)-2-(2,3-dichlorophenoxy)-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide
CID 52523221
2-(2,4-dimethylphenyl)-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1,3-thiazole-4-carboxamide
CID 56522430
N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 56518850
N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 56522308
5-amino-N-(3-hydroxyphenyl)-1-methylpyrazole-4-carboxamide
CID 82547033
N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-3-methylsulfonyl-5-nitrobenzamide
CID 56522052
6-chloro-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1H-indole-2-carboxamide
CID 56520260

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-5-methyl-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-5-methyl-1-propan-2-ylpyrazole-4-carboxamide (CID 136519991) is N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-5-methyl-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-5-methyl-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-5-methyl-1-propan-2-ylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2cnc(-c3cccc(O)c3)nc2)cnn1C(C)C.
What is the InChIKey of N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-5-methyl-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is SIIVCTGISMNANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-11(2)23-12(3)16(10-21-23)18(25)22-14-8-19-17(20-9-14)13-5-4-6-15(24)7-13/h4-11,24H,1-3H3,(H,22,25).
What are the key properties of N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-5-methyl-1-propan-2-ylpyrazole-4-carboxamide?
N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-5-methyl-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-5-methyl-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 136519991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).