N-[(2S)-butan-2-yl]-1-(2-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide

C19H20ClN3O2 — CID 7271587

IUPACN-[(2S)-butan-2-yl]-1-(2-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide
SMILESCC[C@H](C)NC(=O)c1cc(-c2ccc(C)o2)nn1-c1ccccc1Cl
InChIInChI=1S/C19H20ClN3O2/c1-4-12(2)21-19(24)17-11-15(18-10-9-13(3)25-18)22-23(17)16-8-6-5-7-14(16)20/h5-12H,4H2,1-3H3,(H,21,24)/t12-/m0/s1
InChIKeyNHXCIXRRLRFXDX-LBPRGKRZSA-N
MW357.84 g/mol
LogP4.62
Rot. Bonds5

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

N-[(2S)-butan-2-yl]-1-(2-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide (PubChem CID 7271587) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-1-(2-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-1-(2-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide
PubChem CID7271587
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC NameN-[(2S)-butan-2-yl]-1-(2-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide
SMILESCC[C@H](C)NC(=O)c1cc(-c2ccc(C)o2)nn1-c1ccccc1Cl
InChIInChI=1S/C19H20ClN3O2/c1-4-12(2)21-19(24)17-11-15(18-10-9-13(3)25-18)22-23(17)16-8-6-5-7-14(16)20/h5-12H,4H2,1-3H3,(H,21,24)/t12-/m0/s1
InChIKeyNHXCIXRRLRFXDX-LBPRGKRZSA-N
XLogP4.62
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-butan-2-yl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-5-carboxamide
CID 812311
N-[(2S)-butan-2-yl]-1-(2-chlorophenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide
CID 7218983
N-[(2R)-butan-2-yl]-1-(2-chlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 7249045
N-[(2R)-butan-2-yl]-1-(2-chlorophenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide
CID 1053631
N-butan-2-yl-1-(2-chlorophenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide
CID 3943939
1-(2-chlorophenyl)-N-(2-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide
CID 3543869
3-(5-methylfuran-2-yl)-1-phenyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide
CID 4654374
diethyl-[(4R)-4-[[3-(5-methylfuran-2-yl)-1-phenylpyrazole-5-carbonyl]amino]pentyl]azanium
CID 7373893
(4-benzylpiperidin-1-yl)-[1-(2-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]methanone
CID 3683577
N-[5-(diethylamino)pentan-2-yl]-1-(2,4-dimethylphenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide
CID 5233969
N-butan-2-yl-3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 42759382
N-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-phenylpyrazole-5-carboxamide
CID 812204

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-1-(2-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide?
The IUPAC name of N-[(2S)-butan-2-yl]-1-(2-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide (CID 7271587) is N-[(2S)-butan-2-yl]-1-(2-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-1-(2-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-1-(2-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide is CC[C@H](C)NC(=O)c1cc(-c2ccc(C)o2)nn1-c1ccccc1Cl.
What is the InChIKey of N-[(2S)-butan-2-yl]-1-(2-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide?
The InChIKey is NHXCIXRRLRFXDX-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-4-12(2)21-19(24)17-11-15(18-10-9-13(3)25-18)22-23(17)16-8-6-5-7-14(16)20/h5-12H,4H2,1-3H3,(H,21,24)/t12-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-1-(2-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide?
N-[(2S)-butan-2-yl]-1-(2-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide has a molecular weight of 357.84 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-1-(2-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 7271587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).