phenyl N-[3-(1,1-difluoroethyl)-1-(6-methyl-3-pyridinyl)pyrazol-5-yl]carbamate

C18H16F2N4O2 — CID 121479965

IUPACphenyl N-[3-(1,1-difluoroethyl)-1-(6-methyl-3-pyridinyl)pyrazol-5-yl]carbamate
SMILESCc1ccc(-n2nc(C(C)(F)F)cc2NC(=O)Oc2ccccc2)cn1
InChIInChI=1S/C18H16F2N4O2/c1-12-8-9-13(11-21-12)24-16(10-15(23-24)18(2,19)20)22-17(25)26-14-6-4-3-5-7-14/h3-11H,1-2H3,(H,22,25)
InChIKeyNSKKBPSIHYMFNL-UHFFFAOYSA-N
MW358.35 g/mol
LogP4.30
Rot. Bonds4

About phenyl N-[3-(1,1-difluoroethyl)-1-(6-methyl-3-pyridinyl)pyrazol-5-yl]carbamate

phenyl N-[3-(1,1-difluoroethyl)-1-(6-methyl-3-pyridinyl)pyrazol-5-yl]carbamate (PubChem CID 121479965) has the molecular formula C18H16F2N4O2 and a molecular weight of 358.35 g/mol. Its IUPAC name is phenyl N-[3-(1,1-difluoroethyl)-1-(6-methyl-3-pyridinyl)pyrazol-5-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[3-(1,1-difluoroethyl)-1-(6-methyl-3-pyridinyl)pyrazol-5-yl]carbamate
PubChem CID121479965
Molecular FormulaC18H16F2N4O2
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC Namephenyl N-[3-(1,1-difluoroethyl)-1-(6-methyl-3-pyridinyl)pyrazol-5-yl]carbamate
SMILESCc1ccc(-n2nc(C(C)(F)F)cc2NC(=O)Oc2ccccc2)cn1
InChIInChI=1S/C18H16F2N4O2/c1-12-8-9-13(11-21-12)24-16(10-15(23-24)18(2,19)20)22-17(25)26-14-6-4-3-5-7-14/h3-11H,1-2H3,(H,22,25)
InChIKeyNSKKBPSIHYMFNL-UHFFFAOYSA-N
XLogP4.30
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze phenyl N-[3-(1,1-difluoroethyl)-1-(6-methyl-3-pyridinyl)pyrazol-5-yl]carbamate with MolForge

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

Launch Full Analysis

Related Compounds

Mapk13-IN-1
CID 17941505
phenyl N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamate
CID 162663380
[4-[2-(4-Methoxyphenyl)pyrazol-3-yl]-2-pyridinyl]urea
CID 69675754
1-[4-(2-Amino-pyridin-4-yloxy)-2-fluoro-phenyl]-3-[5-tert-butyl-2-(3-fluoro-phenyl)-2H-pyrazol-3-yl]-urea
CID 118102585
1-[5-Tert-but yl-2-(3-fluorophenyl)pyrazol-3-yl]-3-[2-fluoro-4-(4-pyridyloxy)phenyl]urea
CID 141209830
1-[5-tert-Butyl-2-(4-fluoro-phenyl)-2H-pyrazol-3-yl]-3-[2-fluoro-4-(pyridin-4-yloxy)-phenyl]-urea
CID 147225342
N-(4-{4-[3-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-ureido]-3-fluoro-phenoxy}-pyridin-2-yl)-acetamide
CID 147538329
1-(5-tert-Butyl-2-cyclopropylmethyl-2H-pyrazol-yl)-3-[2-fluoro-4-(pyridin-4-yloxy)-phenyl]-urea
CID 149430011
1-[4-(5-methyl-2-phenyl-2H-pyrazol-3-yloxy)-pyridin-3-yl]-3-(4-trifluoromethoxy-phenyl)-urea
CID 44448802
Phenyl [6-(4-isopropyl-4h-1,2,4-triazol-3-yl)pyridin-2-yl]carbamate
CID 153524531
N-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 2816307
1-[2-(5-Methyl-2-pyridin-2-ylpyrazol-3-yl)oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 44448830

Frequently Asked Questions

What is the IUPAC name of phenyl N-[3-(1,1-difluoroethyl)-1-(6-methyl-3-pyridinyl)pyrazol-5-yl]carbamate?
The IUPAC name of phenyl N-[3-(1,1-difluoroethyl)-1-(6-methyl-3-pyridinyl)pyrazol-5-yl]carbamate (CID 121479965) is phenyl N-[3-(1,1-difluoroethyl)-1-(6-methyl-3-pyridinyl)pyrazol-5-yl]carbamate.
What is the SMILES notation for phenyl N-[3-(1,1-difluoroethyl)-1-(6-methyl-3-pyridinyl)pyrazol-5-yl]carbamate?
The canonical SMILES for phenyl N-[3-(1,1-difluoroethyl)-1-(6-methyl-3-pyridinyl)pyrazol-5-yl]carbamate is Cc1ccc(-n2nc(C(C)(F)F)cc2NC(=O)Oc2ccccc2)cn1.
What is the InChIKey of phenyl N-[3-(1,1-difluoroethyl)-1-(6-methyl-3-pyridinyl)pyrazol-5-yl]carbamate?
The InChIKey is NSKKBPSIHYMFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O2/c1-12-8-9-13(11-21-12)24-16(10-15(23-24)18(2,19)20)22-17(25)26-14-6-4-3-5-7-14/h3-11H,1-2H3,(H,22,25).
What are the key properties of phenyl N-[3-(1,1-difluoroethyl)-1-(6-methyl-3-pyridinyl)pyrazol-5-yl]carbamate?
phenyl N-[3-(1,1-difluoroethyl)-1-(6-methyl-3-pyridinyl)pyrazol-5-yl]carbamate has a molecular weight of 358.35 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[3-(1,1-difluoroethyl)-1-(6-methyl-3-pyridinyl)pyrazol-5-yl]carbamate is sourced from PubChem (CID 121479965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).