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

C19H26F3N5O — CID 19590913

IUPACN-(1-butyl-5-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide
SMILESCCCCn1nc(NC(=O)C(CC)n2nc(C(F)(F)F)c3c2CCC3)cc1C
InChIInChI=1S/C19H26F3N5O/c1-4-6-10-26-12(3)11-16(24-26)23-18(28)14(5-2)27-15-9-7-8-13(15)17(25-27)19(20,21)22/h11,14H,4-10H2,1-3H3,(H,23,24,28)
InChIKeyLWIOIOHAIJUCPM-UHFFFAOYSA-N
MW397.45 g/mol
LogP4.29
Rot. Bonds7

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

N-(1-butyl-5-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide (PubChem CID 19590913) has the molecular formula C19H26F3N5O and a molecular weight of 397.45 g/mol. Its IUPAC name is N-(1-butyl-5-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide.

Molecular Properties

Compound NameN-(1-butyl-5-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide
PubChem CID19590913
Molecular FormulaC19H26F3N5O
Molecular Weight397.45 g/mol
Exact Mass397.21
IUPAC NameN-(1-butyl-5-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide
SMILESCCCCn1nc(NC(=O)C(CC)n2nc(C(F)(F)F)c3c2CCC3)cc1C
InChIInChI=1S/C19H26F3N5O/c1-4-6-10-26-12(3)11-16(24-26)23-18(28)14(5-2)27-15-9-7-8-13(15)17(25-27)19(20,21)22/h11,14H,4-10H2,1-3H3,(H,23,24,28)
InChIKeyLWIOIOHAIJUCPM-UHFFFAOYSA-N
XLogP4.29
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-butyl-5-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide?
The IUPAC name of N-(1-butyl-5-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide (CID 19590913) is N-(1-butyl-5-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide.
What is the SMILES notation for N-(1-butyl-5-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide?
The canonical SMILES for N-(1-butyl-5-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide is CCCCn1nc(NC(=O)C(CC)n2nc(C(F)(F)F)c3c2CCC3)cc1C.
What is the InChIKey of N-(1-butyl-5-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide?
The InChIKey is LWIOIOHAIJUCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N5O/c1-4-6-10-26-12(3)11-16(24-26)23-18(28)14(5-2)27-15-9-7-8-13(15)17(25-27)19(20,21)22/h11,14H,4-10H2,1-3H3,(H,23,24,28).
What are the key properties of N-(1-butyl-5-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide?
N-(1-butyl-5-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide has a molecular weight of 397.45 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butyl-5-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide is sourced from PubChem (CID 19590913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).