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

C23H20ClF4N5O3 — CID 19413942

IUPAC5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide
SMILESCc1ccc(OCn2cc(NC(=O)c3ccc(Cn4nc(C(F)F)c(Cl)c4C(F)F)o3)cn2)c(C)c1
InChIInChI=1S/C23H20ClF4N5O3/c1-12-3-5-16(13(2)7-12)35-11-32-9-14(8-29-32)30-23(34)17-6-4-15(36-17)10-33-20(22(27)28)18(24)19(31-33)21(25)26/h3-9,21-22H,10-11H2,1-2H3,(H,30,34)
InChIKeyBQLIDBOMBKNHPN-UHFFFAOYSA-N
MW525.89 g/mol
LogP6.16
Rot. Bonds9

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

5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide (PubChem CID 19413942) has the molecular formula C23H20ClF4N5O3 and a molecular weight of 525.89 g/mol. Its IUPAC name is 5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide
PubChem CID19413942
Molecular FormulaC23H20ClF4N5O3
Molecular Weight525.89 g/mol
Exact Mass525.12
IUPAC Name5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide
SMILESCc1ccc(OCn2cc(NC(=O)c3ccc(Cn4nc(C(F)F)c(Cl)c4C(F)F)o3)cn2)c(C)c1
InChIInChI=1S/C23H20ClF4N5O3/c1-12-3-5-16(13(2)7-12)35-11-32-9-14(8-29-32)30-23(34)17-6-4-15(36-17)10-33-20(22(27)28)18(24)19(31-33)21(25)26/h3-9,21-22H,10-11H2,1-2H3,(H,30,34)
InChIKeyBQLIDBOMBKNHPN-UHFFFAOYSA-N
XLogP6.16
TPSA87.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.89
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]acetamide
CID 19526260
5-[(4-chloro-3-methylphenoxy)methyl]-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19417168
N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19412778
N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
CID 19412988
5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-methylfuran-2-carboxamide
CID 19413957
5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]furan-2-carboxamide
CID 19413883
5-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19401779
N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19461723
N-[3-[[5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]furan-2-carbonyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide
CID 19413915
methyl 2-[[5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]furan-2-carbonyl]amino]-5-methylthiophene-3-carboxylate
CID 19413797
5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
CID 19468243
N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19457157

Frequently Asked Questions

What is the IUPAC name of 5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide?
The IUPAC name of 5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide (CID 19413942) is 5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide.
What is the SMILES notation for 5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide?
The canonical SMILES for 5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide is Cc1ccc(OCn2cc(NC(=O)c3ccc(Cn4nc(C(F)F)c(Cl)c4C(F)F)o3)cn2)c(C)c1.
What is the InChIKey of 5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide?
The InChIKey is BQLIDBOMBKNHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClF4N5O3/c1-12-3-5-16(13(2)7-12)35-11-32-9-14(8-29-32)30-23(34)17-6-4-15(36-17)10-33-20(22(27)28)18(24)19(31-33)21(25)26/h3-9,21-22H,10-11H2,1-2H3,(H,30,34).
What are the key properties of 5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide?
5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide has a molecular weight of 525.89 g/mol, XLogP of 6.16, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 19413942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).