N-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]-4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide

C19H21F2N5O2 — CID 155951412

IUPACN-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]-4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide
SMILESCC(C)c1ccc(-n2cc(O)c(C(=O)NCc3ccn(CC(F)F)n3)n2)cc1
InChIInChI=1S/C19H21F2N5O2/c1-12(2)13-3-5-15(6-4-13)26-10-16(27)18(24-26)19(28)22-9-14-7-8-25(23-14)11-17(20)21/h3-8,10,12,17,27H,9,11H2,1-2H3,(H,22,28)
InChIKeyWKEBSDCLVUMTCI-UHFFFAOYSA-N
MW389.41 g/mol
LogP3.09
Rot. Bonds7

About N-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]-4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide

N-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]-4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide (PubChem CID 155951412) has the molecular formula C19H21F2N5O2 and a molecular weight of 389.41 g/mol. Its IUPAC name is N-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]-4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]-4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide
PubChem CID155951412
Molecular FormulaC19H21F2N5O2
Molecular Weight389.41 g/mol
Exact Mass389.17
IUPAC NameN-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]-4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide
SMILESCC(C)c1ccc(-n2cc(O)c(C(=O)NCc3ccn(CC(F)F)n3)n2)cc1
InChIInChI=1S/C19H21F2N5O2/c1-12(2)13-3-5-15(6-4-13)26-10-16(27)18(24-26)19(28)22-9-14-7-8-25(23-14)11-17(20)21/h3-8,10,12,17,27H,9,11H2,1-2H3,(H,22,28)
InChIKeyWKEBSDCLVUMTCI-UHFFFAOYSA-N
XLogP3.09
TPSA84.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]-4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide?
The IUPAC name of N-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]-4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide (CID 155951412) is N-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]-4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]-4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]-4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide is CC(C)c1ccc(-n2cc(O)c(C(=O)NCc3ccn(CC(F)F)n3)n2)cc1.
What is the InChIKey of N-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]-4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide?
The InChIKey is WKEBSDCLVUMTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N5O2/c1-12(2)13-3-5-15(6-4-13)26-10-16(27)18(24-26)19(28)22-9-14-7-8-25(23-14)11-17(20)21/h3-8,10,12,17,27H,9,11H2,1-2H3,(H,22,28).
What are the key properties of N-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]-4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide?
N-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]-4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide has a molecular weight of 389.41 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]-4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 155951412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).