5-amino-3-(4-ethyl-2,3-difluorophenyl)-1-(1-methylcyclopropyl)pyrazole-4-carbonitrile

C16H16F2N4 — CID 167058803

IUPAC5-amino-3-(4-ethyl-2,3-difluorophenyl)-1-(1-methylcyclopropyl)pyrazole-4-carbonitrile
SMILESCCc1ccc(-c2nn(C3(C)CC3)c(N)c2C#N)c(F)c1F
InChIInChI=1S/C16H16F2N4/c1-3-9-4-5-10(13(18)12(9)17)14-11(8-19)15(20)22(21-14)16(2)6-7-16/h4-5H,3,6-7,20H2,1-2H3
InChIKeySSRSKTAAFRAQFS-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.35
Rot. Bonds3

About 5-amino-3-(4-ethyl-2,3-difluorophenyl)-1-(1-methylcyclopropyl)pyrazole-4-carbonitrile

5-amino-3-(4-ethyl-2,3-difluorophenyl)-1-(1-methylcyclopropyl)pyrazole-4-carbonitrile (PubChem CID 167058803) has the molecular formula C16H16F2N4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 5-amino-3-(4-ethyl-2,3-difluorophenyl)-1-(1-methylcyclopropyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(4-ethyl-2,3-difluorophenyl)-1-(1-methylcyclopropyl)pyrazole-4-carbonitrile
PubChem CID167058803
Molecular FormulaC16H16F2N4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name5-amino-3-(4-ethyl-2,3-difluorophenyl)-1-(1-methylcyclopropyl)pyrazole-4-carbonitrile
SMILESCCc1ccc(-c2nn(C3(C)CC3)c(N)c2C#N)c(F)c1F
InChIInChI=1S/C16H16F2N4/c1-3-9-4-5-10(13(18)12(9)17)14-11(8-19)15(20)22(21-14)16(2)6-7-16/h4-5H,3,6-7,20H2,1-2H3
InChIKeySSRSKTAAFRAQFS-UHFFFAOYSA-N
XLogP3.35
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[4-[5-amino-4-cyano-1-(1-methylcyclopropyl)pyrazol-3-yl]-2,3-difluorophenyl]acetate
CID 163292093
N-[[4-(5-amino-4-cyano-1-cyclopentylpyrazol-3-yl)-2,3-difluorophenyl]methyl]-2-methoxybenzamide
CID 137358623
2-[4-(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)-2,3-difluorophenyl]-N-[3-(3-methylbut-3-enyl)-1,2-oxazol-5-yl]acetamide
CID 167059281
2-[4-[5-amino-4-cyano-1-(1-methylcyclopropyl)pyrazol-3-yl]phenyl]-N-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]prop-2-enamide
CID 168861494
2-[4-[5-amino-4-cyano-1-(1-methylcyclopropyl)pyrazol-3-yl]phenyl]-N-[3-(3,3-dimethylcyclobutyl)-1,2-oxazol-5-yl]propanamide
CID 162485729
5-amino-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonitrile
CID 22310003
1-(2,3-difluoro-4-propylphenyl)-4-ethyl-2,3-difluorobenzene
CID 123581052
2-[4-[4-cyano-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1-propan-2-ylpyrazol-3-yl]-2,3-difluorophenyl]acetic acid
CID 163292018
2-amino-3,6-diethylbenzonitrile;hydrochloride
CID 82013541
5-amino-3-(4-ethoxy-8-fluoro-2-phenylquinolin-7-yl)-1-(3-hydroxy-3-methylcyclobutyl)pyrazole-4-carbonitrile
CID 169130464
1-ethyl-2,3-difluoro-4-(4-methylphenyl)benzene
CID 20727464
5-amino-3-(4-bromo-2-fluorophenyl)-1-propan-2-ylpyrazole-4-carbonitrile
CID 90075770

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(4-ethyl-2,3-difluorophenyl)-1-(1-methylcyclopropyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(4-ethyl-2,3-difluorophenyl)-1-(1-methylcyclopropyl)pyrazole-4-carbonitrile (CID 167058803) is 5-amino-3-(4-ethyl-2,3-difluorophenyl)-1-(1-methylcyclopropyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(4-ethyl-2,3-difluorophenyl)-1-(1-methylcyclopropyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(4-ethyl-2,3-difluorophenyl)-1-(1-methylcyclopropyl)pyrazole-4-carbonitrile is CCc1ccc(-c2nn(C3(C)CC3)c(N)c2C#N)c(F)c1F.
What is the InChIKey of 5-amino-3-(4-ethyl-2,3-difluorophenyl)-1-(1-methylcyclopropyl)pyrazole-4-carbonitrile?
The InChIKey is SSRSKTAAFRAQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4/c1-3-9-4-5-10(13(18)12(9)17)14-11(8-19)15(20)22(21-14)16(2)6-7-16/h4-5H,3,6-7,20H2,1-2H3.
What are the key properties of 5-amino-3-(4-ethyl-2,3-difluorophenyl)-1-(1-methylcyclopropyl)pyrazole-4-carbonitrile?
5-amino-3-(4-ethyl-2,3-difluorophenyl)-1-(1-methylcyclopropyl)pyrazole-4-carbonitrile has a molecular weight of 302.33 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(4-ethyl-2,3-difluorophenyl)-1-(1-methylcyclopropyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 167058803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).