N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide

C16H18F3N5O — CID 19590844

IUPACN-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
SMILESCn1nc(C2CC2)cc1NC(=O)Cn1nc(C(F)(F)F)c2c1CCC2
InChIInChI=1S/C16H18F3N5O/c1-23-13(7-11(21-23)9-5-6-9)20-14(25)8-24-12-4-2-3-10(12)15(22-24)16(17,18)19/h7,9H,2-6,8H2,1H3,(H,20,25)
InChIKeyXKVYFGDGNAKNGE-UHFFFAOYSA-N
MW353.35 g/mol
LogP2.64
Rot. Bonds4

About N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide

N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide (PubChem CID 19590844) has the molecular formula C16H18F3N5O and a molecular weight of 353.35 g/mol. Its IUPAC name is N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
PubChem CID19590844
Molecular FormulaC16H18F3N5O
Molecular Weight353.35 g/mol
Exact Mass353.15
IUPAC NameN-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
SMILESCn1nc(C2CC2)cc1NC(=O)Cn1nc(C(F)(F)F)c2c1CCC2
InChIInChI=1S/C16H18F3N5O/c1-23-13(7-11(21-23)9-5-6-9)20-14(25)8-24-12-4-2-3-10(12)15(22-24)16(17,18)19/h7,9H,2-6,8H2,1H3,(H,20,25)
InChIKeyXKVYFGDGNAKNGE-UHFFFAOYSA-N
XLogP2.64
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
The IUPAC name of N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide (CID 19590844) is N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
The canonical SMILES for N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide is Cn1nc(C2CC2)cc1NC(=O)Cn1nc(C(F)(F)F)c2c1CCC2.
What is the InChIKey of N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
The InChIKey is XKVYFGDGNAKNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O/c1-23-13(7-11(21-23)9-5-6-9)20-14(25)8-24-12-4-2-3-10(12)15(22-24)16(17,18)19/h7,9H,2-6,8H2,1H3,(H,20,25).
What are the key properties of N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide has a molecular weight of 353.35 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide is sourced from PubChem (CID 19590844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).