N,N,1-trimethyl-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide

C22H27F3N4O2 — CID 146070536

IUPACN,N,1-trimethyl-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
SMILESCN(C)C(=O)c1nn(C)c2c1COC1(CCN(Cc3ccc(C(F)(F)F)cc3)CC1)C2
InChIInChI=1S/C22H27F3N4O2/c1-27(2)20(30)19-17-14-31-21(12-18(17)28(3)26-19)8-10-29(11-9-21)13-15-4-6-16(7-5-15)22(23,24)25/h4-7H,8-14H2,1-3H3
InChIKeyVBUHTPWTVNQJSU-UHFFFAOYSA-N
MW436.48 g/mol
LogP3.25
Rot. Bonds3

About N,N,1-trimethyl-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide

N,N,1-trimethyl-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide (PubChem CID 146070536) has the molecular formula C22H27F3N4O2 and a molecular weight of 436.48 g/mol. Its IUPAC name is N,N,1-trimethyl-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide.

Molecular Properties

Compound NameN,N,1-trimethyl-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
PubChem CID146070536
Molecular FormulaC22H27F3N4O2
Molecular Weight436.48 g/mol
Exact Mass436.21
IUPAC NameN,N,1-trimethyl-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
SMILESCN(C)C(=O)c1nn(C)c2c1COC1(CCN(Cc3ccc(C(F)(F)F)cc3)CC1)C2
InChIInChI=1S/C22H27F3N4O2/c1-27(2)20(30)19-17-14-31-21(12-18(17)28(3)26-19)8-10-29(11-9-21)13-15-4-6-16(7-5-15)22(23,24)25/h4-7H,8-14H2,1-3H3
InChIKeyVBUHTPWTVNQJSU-UHFFFAOYSA-N
XLogP3.25
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N,1-trimethylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 176515432
N-(cyclopropylmethyl)-1'-(furan-3-ylmethyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 146069582
N,N,1-trimethyl-1'-(4-methylpyridine-3-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 146070525
N-cyclopropyl-2,2,2-trifluoro-N-[8-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide
CID 166654979
1'-[(1-ethylindol-3-yl)methyl]-1-methyl-N-propylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 146068291
[1'-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-yl]-pyrrolidin-1-ylmethanone
CID 146068259
8-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155849856
4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
CID 80702504
N,1,5-trimethyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazole-3-carboxamide
CID 172933883
[1-methyl-3-(pyrrolidine-1-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-1'-yl]-(1H-pyrazol-5-yl)methanone
CID 146068229
N-(cyclopropylmethyl)-1'-(2,4-difluorobenzoyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 146067914
N-(cyclopropylmethyl)-1-methyl-1'-(1-methylpyrrole-2-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 146069573

Frequently Asked Questions

What is the IUPAC name of N,N,1-trimethyl-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide?
The IUPAC name of N,N,1-trimethyl-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide (CID 146070536) is N,N,1-trimethyl-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide.
What is the SMILES notation for N,N,1-trimethyl-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide?
The canonical SMILES for N,N,1-trimethyl-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide is CN(C)C(=O)c1nn(C)c2c1COC1(CCN(Cc3ccc(C(F)(F)F)cc3)CC1)C2.
What is the InChIKey of N,N,1-trimethyl-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide?
The InChIKey is VBUHTPWTVNQJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3N4O2/c1-27(2)20(30)19-17-14-31-21(12-18(17)28(3)26-19)8-10-29(11-9-21)13-15-4-6-16(7-5-15)22(23,24)25/h4-7H,8-14H2,1-3H3.
What are the key properties of N,N,1-trimethyl-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide?
N,N,1-trimethyl-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide has a molecular weight of 436.48 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1-trimethyl-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide is sourced from PubChem (CID 146070536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).