N-cycloheptyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propanamide

C15H22F3N3O — CID 2392988

IUPACN-cycloheptyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propanamide
SMILESCc1[nH]nc(C(F)(F)F)c1CCC(=O)NC1CCCCCC1
InChIInChI=1S/C15H22F3N3O/c1-10-12(14(21-20-10)15(16,17)18)8-9-13(22)19-11-6-4-2-3-5-7-11/h11H,2-9H2,1H3,(H,19,22)(H,20,21)
InChIKeyIBHGRSBWMSJERA-UHFFFAOYSA-N
MW317.36 g/mol
LogP3.51
Rot. Bonds4

About N-cycloheptyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propanamide

N-cycloheptyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propanamide (PubChem CID 2392988) has the molecular formula C15H22F3N3O and a molecular weight of 317.36 g/mol. Its IUPAC name is N-cycloheptyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propanamide.

Molecular Properties

Compound NameN-cycloheptyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propanamide
PubChem CID2392988
Molecular FormulaC15H22F3N3O
Molecular Weight317.36 g/mol
Exact Mass317.17
IUPAC NameN-cycloheptyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propanamide
SMILESCc1[nH]nc(C(F)(F)F)c1CCC(=O)NC1CCCCCC1
InChIInChI=1S/C15H22F3N3O/c1-10-12(14(21-20-10)15(16,17)18)8-9-13(22)19-11-6-4-2-3-5-7-11/h11H,2-9H2,1H3,(H,19,22)(H,20,21)
InChIKeyIBHGRSBWMSJERA-UHFFFAOYSA-N
XLogP3.51
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propanamide?
The IUPAC name of N-cycloheptyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propanamide (CID 2392988) is N-cycloheptyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propanamide.
What is the SMILES notation for N-cycloheptyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propanamide?
The canonical SMILES for N-cycloheptyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propanamide is Cc1[nH]nc(C(F)(F)F)c1CCC(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propanamide?
The InChIKey is IBHGRSBWMSJERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O/c1-10-12(14(21-20-10)15(16,17)18)8-9-13(22)19-11-6-4-2-3-5-7-11/h11H,2-9H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-cycloheptyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propanamide?
N-cycloheptyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propanamide has a molecular weight of 317.36 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propanamide is sourced from PubChem (CID 2392988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).