1-(2,5-difluoro-4-methoxyphenyl)-N-(6-hydroxy-1H-indazol-3-yl)-5-propylpyrazole-4-carboxamide

C21H19F2N5O3 — CID 167982263

IUPAC1-(2,5-difluoro-4-methoxyphenyl)-N-(6-hydroxy-1H-indazol-3-yl)-5-propylpyrazole-4-carboxamide
SMILESCCCc1c(C(=O)Nc2n[nH]c3cc(O)ccc23)cnn1-c1cc(F)c(OC)cc1F
InChIInChI=1S/C21H19F2N5O3/c1-3-4-17-13(10-24-28(17)18-8-15(23)19(31-2)9-14(18)22)21(30)25-20-12-6-5-11(29)7-16(12)26-27-20/h5-10,29H,3-4H2,1-2H3,(H2,25,26,27,30)
InChIKeyQVALAJUYVBNNBY-UHFFFAOYSA-N
MW427.41 g/mol
LogP3.95
Rot. Bonds6

About 1-(2,5-difluoro-4-methoxyphenyl)-N-(6-hydroxy-1H-indazol-3-yl)-5-propylpyrazole-4-carboxamide

1-(2,5-difluoro-4-methoxyphenyl)-N-(6-hydroxy-1H-indazol-3-yl)-5-propylpyrazole-4-carboxamide (PubChem CID 167982263) has the molecular formula C21H19F2N5O3 and a molecular weight of 427.41 g/mol. Its IUPAC name is 1-(2,5-difluoro-4-methoxyphenyl)-N-(6-hydroxy-1H-indazol-3-yl)-5-propylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2,5-difluoro-4-methoxyphenyl)-N-(6-hydroxy-1H-indazol-3-yl)-5-propylpyrazole-4-carboxamide
PubChem CID167982263
Molecular FormulaC21H19F2N5O3
Molecular Weight427.41 g/mol
Exact Mass427.15
IUPAC Name1-(2,5-difluoro-4-methoxyphenyl)-N-(6-hydroxy-1H-indazol-3-yl)-5-propylpyrazole-4-carboxamide
SMILESCCCc1c(C(=O)Nc2n[nH]c3cc(O)ccc23)cnn1-c1cc(F)c(OC)cc1F
InChIInChI=1S/C21H19F2N5O3/c1-3-4-17-13(10-24-28(17)18-8-15(23)19(31-2)9-14(18)22)21(30)25-20-12-6-5-11(29)7-16(12)26-27-20/h5-10,29H,3-4H2,1-2H3,(H2,25,26,27,30)
InChIKeyQVALAJUYVBNNBY-UHFFFAOYSA-N
XLogP3.95
TPSA105.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.41
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-cyclopropyl-N-(6-hydroxy-1H-indazol-3-yl)-1-phenylpyrazole-4-carboxamide
CID 167861173
1-(2-fluoroethyl)-N-(6-hydroxy-1H-indazol-3-yl)pyrazole-4-carboxamide
CID 167930386
N-(6-hydroxy-1H-indazol-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 167777397
N-(6-cyano-5-methyl-1H-indazol-3-yl)-1-(2-methoxyphenyl)-5-methylpyrazole-4-carboxamide
CID 167817105
N-[6-(3,4-dimethylphenyl)-1H-indazol-3-yl]-2-methoxybenzamide
CID 69060718
3-cyclopropyl-N-[1-(2,5-difluoro-4-methoxyphenyl)-5-propylpyrazol-4-yl]-3-hydroxypyrrolidine-1-carboxamide
CID 166230032
(6-hydroxy-1H-indazol-3-yl)urea
CID 174460689
methyl 4,5-dimethoxy-2-[(1-phenyl-5-propylpyrazole-4-carbonyl)amino]benzoate
CID 2811265
N-[6-(2,4-dimethoxyphenyl)-1H-indazol-3-yl]-2,4-difluorobenzamide
CID 69060405
N-[6-(3-fluorophenyl)-1H-indazol-3-yl]-2,4-dimethoxybenzamide
CID 69063264
N-(6-hydroxy-1H-indazol-3-yl)-2,5-dimethyl-1-pyridin-4-ylpyrrole-3-carboxamide
CID 167982693
1-(2-chlorophenyl)-N-(6-cyano-5-methyl-1H-indazol-3-yl)-5-ethylpyrazole-4-carboxamide
CID 167928097

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluoro-4-methoxyphenyl)-N-(6-hydroxy-1H-indazol-3-yl)-5-propylpyrazole-4-carboxamide?
The IUPAC name of 1-(2,5-difluoro-4-methoxyphenyl)-N-(6-hydroxy-1H-indazol-3-yl)-5-propylpyrazole-4-carboxamide (CID 167982263) is 1-(2,5-difluoro-4-methoxyphenyl)-N-(6-hydroxy-1H-indazol-3-yl)-5-propylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(2,5-difluoro-4-methoxyphenyl)-N-(6-hydroxy-1H-indazol-3-yl)-5-propylpyrazole-4-carboxamide?
The canonical SMILES for 1-(2,5-difluoro-4-methoxyphenyl)-N-(6-hydroxy-1H-indazol-3-yl)-5-propylpyrazole-4-carboxamide is CCCc1c(C(=O)Nc2n[nH]c3cc(O)ccc23)cnn1-c1cc(F)c(OC)cc1F.
What is the InChIKey of 1-(2,5-difluoro-4-methoxyphenyl)-N-(6-hydroxy-1H-indazol-3-yl)-5-propylpyrazole-4-carboxamide?
The InChIKey is QVALAJUYVBNNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N5O3/c1-3-4-17-13(10-24-28(17)18-8-15(23)19(31-2)9-14(18)22)21(30)25-20-12-6-5-11(29)7-16(12)26-27-20/h5-10,29H,3-4H2,1-2H3,(H2,25,26,27,30).
What are the key properties of 1-(2,5-difluoro-4-methoxyphenyl)-N-(6-hydroxy-1H-indazol-3-yl)-5-propylpyrazole-4-carboxamide?
1-(2,5-difluoro-4-methoxyphenyl)-N-(6-hydroxy-1H-indazol-3-yl)-5-propylpyrazole-4-carboxamide has a molecular weight of 427.41 g/mol, XLogP of 3.95, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluoro-4-methoxyphenyl)-N-(6-hydroxy-1H-indazol-3-yl)-5-propylpyrazole-4-carboxamide is sourced from PubChem (CID 167982263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).