N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide

C19H19ClF3N5O2 — CID 19324005

IUPACN-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
SMILESO=C(NCCCn1nc(C(F)(F)F)c(Cl)c1C1CC1)c1ccc(Cn2cccn2)o1
InChIInChI=1S/C19H19ClF3N5O2/c20-15-16(12-3-4-12)28(26-17(15)19(21,22)23)10-1-7-24-18(29)14-6-5-13(30-14)11-27-9-2-8-25-27/h2,5-6,8-9,12H,1,3-4,7,10-11H2,(H,24,29)
InChIKeyZESUFGASDWXIEZ-UHFFFAOYSA-N
MW441.84 g/mol
LogP4.09
Rot. Bonds8

About N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide

N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide (PubChem CID 19324005) has the molecular formula C19H19ClF3N5O2 and a molecular weight of 441.84 g/mol. Its IUPAC name is N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
PubChem CID19324005
Molecular FormulaC19H19ClF3N5O2
Molecular Weight441.84 g/mol
Exact Mass441.12
IUPAC NameN-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
SMILESO=C(NCCCn1nc(C(F)(F)F)c(Cl)c1C1CC1)c1ccc(Cn2cccn2)o1
InChIInChI=1S/C19H19ClF3N5O2/c20-15-16(12-3-4-12)28(26-17(15)19(21,22)23)10-1-7-24-18(29)14-6-5-13(30-14)11-27-9-2-8-25-27/h2,5-6,8-9,12H,1,3-4,7,10-11H2,(H,24,29)
InChIKeyZESUFGASDWXIEZ-UHFFFAOYSA-N
XLogP4.09
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.84
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19324002
N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19324096
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-pyrazol-1-ylpropyl)propanamide
CID 19531769
N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-ethylbutanamide
CID 19323958
N-butyl-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19463195
N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,4-diethoxybenzamide
CID 19323952
4-chloro-N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 4768806
N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methoxybenzamide
CID 19323971
N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopropanecarboxamide
CID 19323953
N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-(3-methylpyrazol-1-yl)acetamide
CID 19324013
4-bromo-N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-methylpyrazole-3-carboxamide
CID 4769970
4-chloro-N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1H-pyrazole-5-carboxamide
CID 19323932

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide (CID 19324005) is N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide is O=C(NCCCn1nc(C(F)(F)F)c(Cl)c1C1CC1)c1ccc(Cn2cccn2)o1.
What is the InChIKey of N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The InChIKey is ZESUFGASDWXIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3N5O2/c20-15-16(12-3-4-12)28(26-17(15)19(21,22)23)10-1-7-24-18(29)14-6-5-13(30-14)11-27-9-2-8-25-27/h2,5-6,8-9,12H,1,3-4,7,10-11H2,(H,24,29).
What are the key properties of N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide has a molecular weight of 441.84 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 19324005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).