N-[(2R)-butan-2-yl]-1-(3-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide

C18H18ClN3O2 — CID 771696

IUPACN-[(2R)-butan-2-yl]-1-(3-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
SMILESCC[C@@H](C)NC(=O)c1cc(-c2ccco2)nn1-c1cccc(Cl)c1
InChIInChI=1S/C18H18ClN3O2/c1-3-12(2)20-18(23)16-11-15(17-8-5-9-24-17)21-22(16)14-7-4-6-13(19)10-14/h4-12H,3H2,1-2H3,(H,20,23)/t12-/m1/s1
InChIKeyOSLJFLYWGTYJHL-GFCCVEGCSA-N
MW343.81 g/mol
LogP4.31
Rot. Bonds5

About N-[(2R)-butan-2-yl]-1-(3-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide

N-[(2R)-butan-2-yl]-1-(3-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide (PubChem CID 771696) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-1-(3-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-1-(3-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
PubChem CID771696
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC NameN-[(2R)-butan-2-yl]-1-(3-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
SMILESCC[C@@H](C)NC(=O)c1cc(-c2ccco2)nn1-c1cccc(Cl)c1
InChIInChI=1S/C18H18ClN3O2/c1-3-12(2)20-18(23)16-11-15(17-8-5-9-24-17)21-22(16)14-7-4-6-13(19)10-14/h4-12H,3H2,1-2H3,(H,20,23)/t12-/m1/s1
InChIKeyOSLJFLYWGTYJHL-GFCCVEGCSA-N
XLogP4.31
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-3-(furan-2-yl)-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 771691
N-butan-2-yl-3-(furan-2-yl)-1-methylpyrazole-5-carboxamide
CID 42656738
1-(4-chlorophenyl)-3-(furan-2-yl)-N-propan-2-ylpyrazole-5-carboxamide
CID 2382321
N-butan-2-yl-1-(3-chlorophenyl)-3-(2-fluorophenyl)pyrazole-5-carboxamide
CID 42754822
1-(3-chlorophenyl)-3-(furan-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide
CID 1053514
1-(3-chlorophenyl)-3-(furan-2-yl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide
CID 1053520
1-(3-chlorophenyl)-3-(furan-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 1053527
3-(furan-2-yl)-1-phenyl-N-(1-thiophen-3-ylpropan-2-yl)pyrazole-5-carboxamide
CID 55975353
N-[(2S)-butan-2-yl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-5-carboxamide
CID 812311
[1-(3-chlorophenyl)-3-(furan-2-yl)pyrazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 1053517
3-(furan-2-yl)-1-(3-methylphenyl)-N-propylpyrazole-5-carboxamide
CID 3661667
N-[2-(2,4-dichlorophenyl)ethyl]-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 4309486

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-1-(3-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide?
The IUPAC name of N-[(2R)-butan-2-yl]-1-(3-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide (CID 771696) is N-[(2R)-butan-2-yl]-1-(3-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-1-(3-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-1-(3-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide is CC[C@@H](C)NC(=O)c1cc(-c2ccco2)nn1-c1cccc(Cl)c1.
What is the InChIKey of N-[(2R)-butan-2-yl]-1-(3-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide?
The InChIKey is OSLJFLYWGTYJHL-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c1-3-12(2)20-18(23)16-11-15(17-8-5-9-24-17)21-22(16)14-7-4-6-13(19)10-14/h4-12H,3H2,1-2H3,(H,20,23)/t12-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-1-(3-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide?
N-[(2R)-butan-2-yl]-1-(3-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide has a molecular weight of 343.81 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-1-(3-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 771696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).