(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)methanone

C19H21ClFN3O — CID 100907616

IUPAC(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)methanone
SMILESCC(C)c1nn(C)c(Cl)c1C(=O)N1CC2(CCC2)c2c(F)cccc21
InChIInChI=1S/C19H21ClFN3O/c1-11(2)16-14(17(20)23(3)22-16)18(25)24-10-19(8-5-9-19)15-12(21)6-4-7-13(15)24/h4,6-7,11H,5,8-10H2,1-3H3
InChIKeyVFSVZKCLZSJOPU-UHFFFAOYSA-N
MW361.85 g/mol
LogP4.42
Rot. Bonds2

About (5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)methanone

(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)methanone (PubChem CID 100907616) has the molecular formula C19H21ClFN3O and a molecular weight of 361.85 g/mol. Its IUPAC name is (5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)methanone
PubChem CID100907616
Molecular FormulaC19H21ClFN3O
Molecular Weight361.85 g/mol
Exact Mass361.14
IUPAC Name(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)methanone
SMILESCC(C)c1nn(C)c(Cl)c1C(=O)N1CC2(CCC2)c2c(F)cccc21
InChIInChI=1S/C19H21ClFN3O/c1-11(2)16-14(17(20)23(3)22-16)18(25)24-10-19(8-5-9-19)15-12(21)6-4-7-13(15)24/h4,6-7,11H,5,8-10H2,1-3H3
InChIKeyVFSVZKCLZSJOPU-UHFFFAOYSA-N
XLogP4.42
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)ethanone
CID 127270027
(2R)-2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)propan-1-one
CID 119314082
1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 100904348
(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(3-methylbenzotriazol-5-yl)methanone
CID 127839931
6-chloro-4-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-carbonyl)-1H-quinolin-2-one
CID 100906523
(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-[4-(hydroxymethyl)phenyl]methanone
CID 166244109
2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)ethanone
CID 119312882
(3-aminophenyl)-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone;hydrochloride
CID 119765168
(2S)-2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-3,3-dimethylbutan-1-one;hydrochloride
CID 119765160
(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-quinoxalin-5-ylmethanone
CID 166210879
(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(5-morpholin-4-yl-3-pyridinyl)methanone
CID 166185653
N-[(2S)-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-1-oxopropan-2-yl]furan-2-carboxamide
CID 99842887

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)methanone?
The IUPAC name of (5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)methanone (CID 100907616) is (5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)methanone.
What is the SMILES notation for (5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)methanone?
The canonical SMILES for (5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)methanone is CC(C)c1nn(C)c(Cl)c1C(=O)N1CC2(CCC2)c2c(F)cccc21.
What is the InChIKey of (5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)methanone?
The InChIKey is VFSVZKCLZSJOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O/c1-11(2)16-14(17(20)23(3)22-16)18(25)24-10-19(8-5-9-19)15-12(21)6-4-7-13(15)24/h4,6-7,11H,5,8-10H2,1-3H3.
What are the key properties of (5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)methanone?
(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)methanone has a molecular weight of 361.85 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)methanone is sourced from PubChem (CID 100907616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).