N-[1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide

C20H18ClFN6O2 — CID 70656936

IUPACN-[1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
SMILESCC(Cn1ccc(-c2cc(F)c(C#N)c(Cl)c2)n1)NC(=O)c1n[nH]c2c1COCC2
InChIInChI=1S/C20H18ClFN6O2/c1-11(24-20(29)19-14-10-30-5-3-18(14)25-26-19)9-28-4-2-17(27-28)12-6-15(21)13(8-23)16(22)7-12/h2,4,6-7,11H,3,5,9-10H2,1H3,(H,24,29)(H,25,26)
InChIKeyZPCSIWRIOLGWEY-UHFFFAOYSA-N
MW428.86 g/mol
LogP2.83
Rot. Bonds5

About N-[1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide

N-[1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide (PubChem CID 70656936) has the molecular formula C20H18ClFN6O2 and a molecular weight of 428.86 g/mol. Its IUPAC name is N-[1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
PubChem CID70656936
Molecular FormulaC20H18ClFN6O2
Molecular Weight428.86 g/mol
Exact Mass428.12
IUPAC NameN-[1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
SMILESCC(Cn1ccc(-c2cc(F)c(C#N)c(Cl)c2)n1)NC(=O)c1n[nH]c2c1COCC2
InChIInChI=1S/C20H18ClFN6O2/c1-11(24-20(29)19-14-10-30-5-3-18(14)25-26-19)9-28-4-2-17(27-28)12-6-15(21)13(8-23)16(22)7-12/h2,4,6-7,11H,3,5,9-10H2,1H3,(H,24,29)(H,25,26)
InChIKeyZPCSIWRIOLGWEY-UHFFFAOYSA-N
XLogP2.83
TPSA108.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.86
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide?
The IUPAC name of N-[1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide (CID 70656936) is N-[1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide.
What is the SMILES notation for N-[1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide?
The canonical SMILES for N-[1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide is CC(Cn1ccc(-c2cc(F)c(C#N)c(Cl)c2)n1)NC(=O)c1n[nH]c2c1COCC2.
What is the InChIKey of N-[1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide?
The InChIKey is ZPCSIWRIOLGWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN6O2/c1-11(24-20(29)19-14-10-30-5-3-18(14)25-26-19)9-28-4-2-17(27-28)12-6-15(21)13(8-23)16(22)7-12/h2,4,6-7,11H,3,5,9-10H2,1H3,(H,24,29)(H,25,26).
What are the key properties of N-[1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide?
N-[1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide has a molecular weight of 428.86 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide is sourced from PubChem (CID 70656936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).