N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide

C18H25F3N4O2 — CID 49054469

IUPACN-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(Cn1cc(NC(=O)C2CCCCC2C(F)(F)F)cn1)NC1CCCC1
InChIInChI=1S/C18H25F3N4O2/c19-18(20,21)15-8-4-3-7-14(15)17(27)24-13-9-22-25(10-13)11-16(26)23-12-5-1-2-6-12/h9-10,12,14-15H,1-8,11H2,(H,23,26)(H,24,27)
InChIKeyUCRJTSBMSNFVMY-UHFFFAOYSA-N
MW386.42 g/mol
LogP3.25
Rot. Bonds5

About N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 49054469) has the molecular formula C18H25F3N4O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID49054469
Molecular FormulaC18H25F3N4O2
Molecular Weight386.42 g/mol
Exact Mass386.19
IUPAC NameN-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(Cn1cc(NC(=O)C2CCCCC2C(F)(F)F)cn1)NC1CCCC1
InChIInChI=1S/C18H25F3N4O2/c19-18(20,21)15-8-4-3-7-14(15)17(27)24-13-9-22-25(10-13)11-16(26)23-12-5-1-2-6-12/h9-10,12,14-15H,1-8,11H2,(H,23,26)(H,24,27)
InChIKeyUCRJTSBMSNFVMY-UHFFFAOYSA-N
XLogP3.25
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 49054469) is N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide is O=C(Cn1cc(NC(=O)C2CCCCC2C(F)(F)F)cn1)NC1CCCC1.
What is the InChIKey of N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is UCRJTSBMSNFVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N4O2/c19-18(20,21)15-8-4-3-7-14(15)17(27)24-13-9-22-25(10-13)11-16(26)23-12-5-1-2-6-12/h9-10,12,14-15H,1-8,11H2,(H,23,26)(H,24,27).
What are the key properties of N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 386.42 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 49054469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).