N-[[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]methyl]spiro[3.3]heptan-2-amine

C18H22FN3 — CID 154865379

IUPACN-[[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]methyl]spiro[3.3]heptan-2-amine
SMILESCc1nn(-c2ccccc2F)cc1CNC1CC2(CCC2)C1
InChIInChI=1S/C18H22FN3/c1-13-14(11-20-15-9-18(10-15)7-4-8-18)12-22(21-13)17-6-3-2-5-16(17)19/h2-3,5-6,12,15,20H,4,7-11H2,1H3
InChIKeyLEMRPARULNFLTE-UHFFFAOYSA-N
MW299.39 g/mol
LogP3.74
Rot. Bonds4

About N-[[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]methyl]spiro[3.3]heptan-2-amine

N-[[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]methyl]spiro[3.3]heptan-2-amine (PubChem CID 154865379) has the molecular formula C18H22FN3 and a molecular weight of 299.39 g/mol. Its IUPAC name is N-[[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]methyl]spiro[3.3]heptan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]methyl]spiro[3.3]heptan-2-amine
PubChem CID154865379
Molecular FormulaC18H22FN3
Molecular Weight299.39 g/mol
Exact Mass299.18
IUPAC NameN-[[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]methyl]spiro[3.3]heptan-2-amine
SMILESCc1nn(-c2ccccc2F)cc1CNC1CC2(CCC2)C1
InChIInChI=1S/C18H22FN3/c1-13-14(11-20-15-9-18(10-15)7-4-8-18)12-22(21-13)17-6-3-2-5-16(17)19/h2-3,5-6,12,15,20H,4,7-11H2,1H3
InChIKeyLEMRPARULNFLTE-UHFFFAOYSA-N
XLogP3.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-bromophenyl)-3-methylpyrazol-4-yl]-N-methylmethanamine
CID 83904750
N-[[1-(3-chloro-2-methylphenyl)-3-methylpyrazol-4-yl]methyl]ethanamine
CID 84617889
2-[1-(2-chlorophenyl)-3-methylpyrazol-4-yl]acetaldehyde
CID 83896288
1-[2-[(cyclopropylamino)methyl]-6-fluorophenyl]-3-methylpyrazole-4-carboxylic acid
CID 141297442
2-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydroquinazolin-6-amine
CID 167796755
N-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-1-(5-methylthiophen-2-yl)methanamine
CID 25381264
N-[(1-phenyl-1,2,4-triazol-3-yl)methyl]-7-oxaspiro[3.5]nonan-2-amine
CID 154865457
N-[(1-phenylpyrazol-3-yl)methyl]-7-oxaspiro[3.5]nonan-2-amine
CID 154865454
N-[(2-fluorophenyl)methyl]cyclopentanamine
CID 1080487
1-[1-(2,5-dichlorophenyl)-3-methylpyrazol-4-yl]-N-methylmethanamine
CID 84617873
N-[[1-(2-fluorophenyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine
CID 66441277
N-[[1-[(3-chloro-4-fluorophenyl)methyl]-3-methylpyrazol-4-yl]methyl]cyclopropanamine
CID 103041569

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]methyl]spiro[3.3]heptan-2-amine?
The IUPAC name of N-[[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]methyl]spiro[3.3]heptan-2-amine (CID 154865379) is N-[[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]methyl]spiro[3.3]heptan-2-amine.
What is the SMILES notation for N-[[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]methyl]spiro[3.3]heptan-2-amine?
The canonical SMILES for N-[[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]methyl]spiro[3.3]heptan-2-amine is Cc1nn(-c2ccccc2F)cc1CNC1CC2(CCC2)C1.
What is the InChIKey of N-[[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]methyl]spiro[3.3]heptan-2-amine?
The InChIKey is LEMRPARULNFLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3/c1-13-14(11-20-15-9-18(10-15)7-4-8-18)12-22(21-13)17-6-3-2-5-16(17)19/h2-3,5-6,12,15,20H,4,7-11H2,1H3.
What are the key properties of N-[[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]methyl]spiro[3.3]heptan-2-amine?
N-[[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]methyl]spiro[3.3]heptan-2-amine has a molecular weight of 299.39 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]methyl]spiro[3.3]heptan-2-amine is sourced from PubChem (CID 154865379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).