1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(2-methylpropyl)pyrazole-5-carboxamide

C19H19Cl2N3O2 — CID 3321117

IUPAC1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCC(C)C)n(-c3ccc(Cl)c(Cl)c3)n2)o1
InChIInChI=1S/C19H19Cl2N3O2/c1-11(2)10-22-19(25)17-9-16(18-7-4-12(3)26-18)23-24(17)13-5-6-14(20)15(21)8-13/h4-9,11H,10H2,1-3H3,(H,22,25)
InChIKeyPGCSNEBTMILPPD-UHFFFAOYSA-N
MW392.29 g/mol
LogP5.13
Rot. Bonds5

About 1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(2-methylpropyl)pyrazole-5-carboxamide

1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(2-methylpropyl)pyrazole-5-carboxamide (PubChem CID 3321117) has the molecular formula C19H19Cl2N3O2 and a molecular weight of 392.29 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(2-methylpropyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(2-methylpropyl)pyrazole-5-carboxamide
PubChem CID3321117
Molecular FormulaC19H19Cl2N3O2
Molecular Weight392.29 g/mol
Exact Mass391.09
IUPAC Name1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCC(C)C)n(-c3ccc(Cl)c(Cl)c3)n2)o1
InChIInChI=1S/C19H19Cl2N3O2/c1-11(2)10-22-19(25)17-9-16(18-7-4-12(3)26-18)23-24(17)13-5-6-14(20)15(21)8-13/h4-9,11H,10H2,1-3H3,(H,22,25)
InChIKeyPGCSNEBTMILPPD-UHFFFAOYSA-N
XLogP5.13
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.29
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 5187683
1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide
CID 3546360
1-(3-chlorophenyl)-3-(furan-2-yl)-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 771691
1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(2-oxoazepan-3-yl)pyrazole-5-carboxamide
CID 3891235
N-[(2S)-butan-2-yl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-5-carboxamide
CID 812311
3-(5-methylfuran-2-yl)-N-pentyl-1-phenylpyrazole-5-carboxamide
CID 42759443
1-(4-chlorophenyl)-N-(2-methylpropyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 42758773
N-[(2S)-butan-2-yl]-1-(2-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide
CID 7271587
3-(4-methoxyphenyl)-1-(4-methylphenyl)-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 42755289
3-(5-methylfuran-2-yl)-1-phenylpyrazole-5-carboxylic acid
CID 812110
3-(5-methylfuran-2-yl)-1-phenyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide
CID 4654374
1-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)pyrazole-5-carboxamide
CID 1053559

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(2-methylpropyl)pyrazole-5-carboxamide?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(2-methylpropyl)pyrazole-5-carboxamide (CID 3321117) is 1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(2-methylpropyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(2-methylpropyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(2-methylpropyl)pyrazole-5-carboxamide is Cc1ccc(-c2cc(C(=O)NCC(C)C)n(-c3ccc(Cl)c(Cl)c3)n2)o1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(2-methylpropyl)pyrazole-5-carboxamide?
The InChIKey is PGCSNEBTMILPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O2/c1-11(2)10-22-19(25)17-9-16(18-7-4-12(3)26-18)23-24(17)13-5-6-14(20)15(21)8-13/h4-9,11H,10H2,1-3H3,(H,22,25).
What are the key properties of 1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(2-methylpropyl)pyrazole-5-carboxamide?
1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(2-methylpropyl)pyrazole-5-carboxamide has a molecular weight of 392.29 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(2-methylpropyl)pyrazole-5-carboxamide is sourced from PubChem (CID 3321117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).