N-cyclopropyl-N-[[4-(2,4-dichlorophenoxy)phenyl]methyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide

C22H20Cl2FN3O2 — CID 67071534

IUPACN-cyclopropyl-N-[[4-(2,4-dichlorophenoxy)phenyl]methyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(F)c1C(=O)N(Cc1ccc(Oc2ccc(Cl)cc2Cl)cc1)C1CC1
InChIInChI=1S/C22H20Cl2FN3O2/c1-13-20(21(25)27(2)26-13)22(29)28(16-6-7-16)12-14-3-8-17(9-4-14)30-19-10-5-15(23)11-18(19)24/h3-5,8-11,16H,6-7,12H2,1-2H3
InChIKeyAXEZDMWDPSBPMS-UHFFFAOYSA-N
MW448.33 g/mol
LogP5.77
Rot. Bonds6

About N-cyclopropyl-N-[[4-(2,4-dichlorophenoxy)phenyl]methyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide

N-cyclopropyl-N-[[4-(2,4-dichlorophenoxy)phenyl]methyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 67071534) has the molecular formula C22H20Cl2FN3O2 and a molecular weight of 448.33 g/mol. Its IUPAC name is N-cyclopropyl-N-[[4-(2,4-dichlorophenoxy)phenyl]methyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[4-(2,4-dichlorophenoxy)phenyl]methyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
PubChem CID67071534
Molecular FormulaC22H20Cl2FN3O2
Molecular Weight448.33 g/mol
Exact Mass447.09
IUPAC NameN-cyclopropyl-N-[[4-(2,4-dichlorophenoxy)phenyl]methyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(F)c1C(=O)N(Cc1ccc(Oc2ccc(Cl)cc2Cl)cc1)C1CC1
InChIInChI=1S/C22H20Cl2FN3O2/c1-13-20(21(25)27(2)26-13)22(29)28(16-6-7-16)12-14-3-8-17(9-4-14)30-19-10-5-15(23)11-18(19)24/h3-5,8-11,16H,6-7,12H2,1-2H3
InChIKeyAXEZDMWDPSBPMS-UHFFFAOYSA-N
XLogP5.77
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.33
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(3-chloro-4-fluorophenyl)-2-fluorophenyl]methyl]-N-cyclopropyl-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
CID 44816250
N-[2-(2,4-dichlorophenoxy)phenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
CID 163527402
N-[(5-chloro-2-propan-2-ylphenyl)methyl]-N-cyclopropyl-5-fluoro-3-[fluoro(iodo)methyl]-1-methylpyrazole-4-carboxamide
CID 138495817
[2-(2,4-dichlorophenyl)piperidin-1-yl]-(5-fluoro-1,3-dimethylpyrazol-4-yl)methanone
CID 56966890
N-cyclopropyl-5-fluoro-1,3-dimethyl-N-[(1-phenylindol-3-yl)methyl]pyrazole-4-carboxamide
CID 118024432
N-[2-(5-chloro-2-fluorophenyl)prop-2-enyl]-N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide
CID 170103113
4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 78811592
N-[(4-chlorophenyl)methyl]-N-cyclopropyl-1-methylbenzotriazole-5-carboxamide
CID 155945933
N-[(5-chloro-2-propan-2-ylphenyl)methyl]-N-cyclopropyl-3-(difluoromethyl)-5-[(4-methoxyphenyl)methoxy]-1-methylpyrazole-4-carboxamide
CID 135134598
N-[[5-(2,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine
CID 43283266
2-(3-chloro-4-fluorophenoxy)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]acetamide
CID 55555870
N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-fluoropyridine-4-carboxamide
CID 115645755

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[4-(2,4-dichlorophenoxy)phenyl]methyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-N-[[4-(2,4-dichlorophenoxy)phenyl]methyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide (CID 67071534) is N-cyclopropyl-N-[[4-(2,4-dichlorophenoxy)phenyl]methyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[[4-(2,4-dichlorophenoxy)phenyl]methyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[[4-(2,4-dichlorophenoxy)phenyl]methyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide is Cc1nn(C)c(F)c1C(=O)N(Cc1ccc(Oc2ccc(Cl)cc2Cl)cc1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[[4-(2,4-dichlorophenoxy)phenyl]methyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is AXEZDMWDPSBPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2FN3O2/c1-13-20(21(25)27(2)26-13)22(29)28(16-6-7-16)12-14-3-8-17(9-4-14)30-19-10-5-15(23)11-18(19)24/h3-5,8-11,16H,6-7,12H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[[4-(2,4-dichlorophenoxy)phenyl]methyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide?
N-cyclopropyl-N-[[4-(2,4-dichlorophenoxy)phenyl]methyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 448.33 g/mol, XLogP of 5.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[4-(2,4-dichlorophenoxy)phenyl]methyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 67071534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).