N-[4-[6-amino-5-cyano-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl]acetamide

C16H12F3N5O2 — CID 3920761

IUPACN-[4-[6-amino-5-cyano-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2C(C#N)=C(N)Oc3n[nH]c(C(F)(F)F)c32)cc1
InChIInChI=1S/C16H12F3N5O2/c1-7(25)22-9-4-2-8(3-5-9)11-10(6-20)14(21)26-15-12(11)13(23-24-15)16(17,18)19/h2-5,11H,21H2,1H3,(H,22,25)(H,23,24)
InChIKeyHZMLRDGOGUTJFG-UHFFFAOYSA-N
MW363.30 g/mol
LogP2.61
Rot. Bonds2

About N-[4-[6-amino-5-cyano-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl]acetamide

N-[4-[6-amino-5-cyano-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl]acetamide (PubChem CID 3920761) has the molecular formula C16H12F3N5O2 and a molecular weight of 363.30 g/mol. Its IUPAC name is N-[4-[6-amino-5-cyano-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[6-amino-5-cyano-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl]acetamide
PubChem CID3920761
Molecular FormulaC16H12F3N5O2
Molecular Weight363.30 g/mol
Exact Mass363.09
IUPAC NameN-[4-[6-amino-5-cyano-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2C(C#N)=C(N)Oc3n[nH]c(C(F)(F)F)c32)cc1
InChIInChI=1S/C16H12F3N5O2/c1-7(25)22-9-4-2-8(3-5-9)11-10(6-20)14(21)26-15-12(11)13(23-24-15)16(17,18)19/h2-5,11H,21H2,1H3,(H,22,25)(H,23,24)
InChIKeyHZMLRDGOGUTJFG-UHFFFAOYSA-N
XLogP2.61
TPSA116.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.30
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-[6-amino-5-cyano-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl]acetamide with MolForge

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Related Compounds

(4R)-6-amino-4-(4-methylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 698789
(4S)-6-amino-4-(4-hydroxyphenyl)-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 941426
N-[4-(6-amino-5-cyano-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl]acetamide
CID 2946022
2-[4-[(4R)-6-amino-5-cyano-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenoxy]acetate
CID 2024338
N-[4-[(4R)-6-amino-5-cyano-3-(2,5-dimethylthiophen-3-yl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl]acetamide
CID 2196140
2-[4-[6-amino-5-cyano-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenoxy]-N,N-diethylacetamide
CID 56691200
(4S)-6-amino-3-methyl-4-[4-(trifluoromethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 691815
(4R)-6-amino-4-pyridin-3-yl-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 676000
6-amino-4-(4-hydroxy-3,5-dimethoxyphenyl)-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 4039349
6-amino-3-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 4620955
N-[4-[(4S)-6-amino-5-cyano-3-(4-ethoxy-3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl]acetamide
CID 41035058
(4S)-6-amino-3-tert-butyl-4-[4-(trifluoromethoxy)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1002419

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-amino-5-cyano-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl]acetamide?
The IUPAC name of N-[4-[6-amino-5-cyano-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl]acetamide (CID 3920761) is N-[4-[6-amino-5-cyano-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[6-amino-5-cyano-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[6-amino-5-cyano-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl]acetamide is CC(=O)Nc1ccc(C2C(C#N)=C(N)Oc3n[nH]c(C(F)(F)F)c32)cc1.
What is the InChIKey of N-[4-[6-amino-5-cyano-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl]acetamide?
The InChIKey is HZMLRDGOGUTJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5O2/c1-7(25)22-9-4-2-8(3-5-9)11-10(6-20)14(21)26-15-12(11)13(23-24-15)16(17,18)19/h2-5,11H,21H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-[4-[6-amino-5-cyano-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl]acetamide?
N-[4-[6-amino-5-cyano-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl]acetamide has a molecular weight of 363.30 g/mol, XLogP of 2.61, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-amino-5-cyano-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 3920761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).