5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide

C16H16ClF4N3O3 — CID 19468194

IUPAC5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc(Cn2nc(C(F)F)c(Cl)c2C(F)F)o1
InChIInChI=1S/C16H16ClF4N3O3/c17-11-12(14(18)19)23-24(13(11)15(20)21)7-9-3-4-10(27-9)16(25)22-6-8-2-1-5-26-8/h3-4,8,14-15H,1-2,5-7H2,(H,22,25)
InChIKeyDDMZLZUNVCNUKW-UHFFFAOYSA-N
MW409.77 g/mol
LogP3.96
Rot. Bonds7

About 5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide

5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide (PubChem CID 19468194) has the molecular formula C16H16ClF4N3O3 and a molecular weight of 409.77 g/mol. Its IUPAC name is 5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
PubChem CID19468194
Molecular FormulaC16H16ClF4N3O3
Molecular Weight409.77 g/mol
Exact Mass409.08
IUPAC Name5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc(Cn2nc(C(F)F)c(Cl)c2C(F)F)o1
InChIInChI=1S/C16H16ClF4N3O3/c17-11-12(14(18)19)23-24(13(11)15(20)21)7-9-3-4-10(27-9)16(25)22-6-8-2-1-5-26-8/h3-4,8,14-15H,1-2,5-7H2,(H,22,25)
InChIKeyDDMZLZUNVCNUKW-UHFFFAOYSA-N
XLogP3.96
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.77
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
CID 19465995
5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
CID 19468243
methyl 2-[[5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]furan-2-carbonyl]amino]-5-methylthiophene-3-carboxylate
CID 19413797
3-[[5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]furan-2-carbonyl]amino]-4-cyclopropyl-6-(difluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19413895
5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 19413869
5-(1-chloroethyl)-N-(oxolan-2-ylmethyl)furan-2-carboxamide
CID 82109059
N-(oxolan-2-ylmethyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 24980461
5-[(3-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
CID 5039250
4-(imidazol-1-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 93491347
4-(azepan-1-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 43921278
5-[(4-ethoxyphenoxy)methyl]-N-[[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 756937
6-fluoro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 63972348

Frequently Asked Questions

What is the IUPAC name of 5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide?
The IUPAC name of 5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide (CID 19468194) is 5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide is O=C(NCC1CCCO1)c1ccc(Cn2nc(C(F)F)c(Cl)c2C(F)F)o1.
What is the InChIKey of 5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide?
The InChIKey is DDMZLZUNVCNUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF4N3O3/c17-11-12(14(18)19)23-24(13(11)15(20)21)7-9-3-4-10(27-9)16(25)22-6-8-2-1-5-26-8/h3-4,8,14-15H,1-2,5-7H2,(H,22,25).
What are the key properties of 5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide?
5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide has a molecular weight of 409.77 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 19468194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).