N-[[1-cycloheptyl-5-(difluoromethyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine

C16H27F2N3 — CID 66440943

IUPACN-[[1-cycloheptyl-5-(difluoromethyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cnn(C2CCCCCC2)c1C(F)F
InChIInChI=1S/C16H27F2N3/c1-12(2)9-19-10-13-11-20-21(15(13)16(17)18)14-7-5-3-4-6-8-14/h11-12,14,16,19H,3-10H2,1-2H3
InChIKeyMFNBWURPUVMIRL-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.46
Rot. Bonds6

About N-[[1-cycloheptyl-5-(difluoromethyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine

N-[[1-cycloheptyl-5-(difluoromethyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 66440943) has the molecular formula C16H27F2N3 and a molecular weight of 299.41 g/mol. Its IUPAC name is N-[[1-cycloheptyl-5-(difluoromethyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-cycloheptyl-5-(difluoromethyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID66440943
Molecular FormulaC16H27F2N3
Molecular Weight299.41 g/mol
Exact Mass299.22
IUPAC NameN-[[1-cycloheptyl-5-(difluoromethyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cnn(C2CCCCCC2)c1C(F)F
InChIInChI=1S/C16H27F2N3/c1-12(2)9-19-10-13-11-20-21(15(13)16(17)18)14-7-5-3-4-6-8-14/h11-12,14,16,19H,3-10H2,1-2H3
InChIKeyMFNBWURPUVMIRL-UHFFFAOYSA-N
XLogP4.46
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-cyclohexyl-5-(difluoromethyl)pyrazol-4-yl]methyl]propan-1-amine
CID 66441544
4-(bromomethyl)-1-cyclohexyl-5-(difluoromethyl)pyrazole
CID 66439455
1-(1-cycloheptyl-5-propan-2-ylpyrazol-4-yl)-N-methylmethanamine
CID 66442749
N-[(1-cycloheptyl-5-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine
CID 66440539
N-[[5-(difluoromethyl)-1-propylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66439923
1-cyclopropyl-5-(difluoromethyl)-4-propan-2-ylpyrazole
CID 169167177
N-[(1-cyclohexylpyrazol-4-yl)methyl]-2-methylpropan-1-amine
CID 62731768
N-[(3-cycloheptylimidazol-4-yl)methyl]-2-methylpropan-1-amine
CID 66147142
N-[(1-cycloheptyl-5-propylpyrazol-4-yl)methyl]propan-2-amine
CID 66440336
N-[[5-(difluoromethyl)-1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66442168
1-cyclopentyl-3-[(2-methylpropylamino)methyl]pyridin-2-one
CID 82526599
N-[(1-cycloheptyl-5-methylpyrazol-4-yl)methyl]-2-methoxyethanamine
CID 66442547

Frequently Asked Questions

What is the IUPAC name of N-[[1-cycloheptyl-5-(difluoromethyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-cycloheptyl-5-(difluoromethyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine (CID 66440943) is N-[[1-cycloheptyl-5-(difluoromethyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-cycloheptyl-5-(difluoromethyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-cycloheptyl-5-(difluoromethyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cnn(C2CCCCCC2)c1C(F)F.
What is the InChIKey of N-[[1-cycloheptyl-5-(difluoromethyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is MFNBWURPUVMIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F2N3/c1-12(2)9-19-10-13-11-20-21(15(13)16(17)18)14-7-5-3-4-6-8-14/h11-12,14,16,19H,3-10H2,1-2H3.
What are the key properties of N-[[1-cycloheptyl-5-(difluoromethyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine?
N-[[1-cycloheptyl-5-(difluoromethyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 299.41 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-cycloheptyl-5-(difluoromethyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 66440943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).