5-chloro-1-(4-fluorophenyl)-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-4-carboxamide

C18H17ClFN3O2 — CID 31150856

IUPAC5-chloro-1-(4-fluorophenyl)-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-4-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2c(C)nn(-c3ccc(F)cc3)c2Cl)o1
InChIInChI=1S/C18H17ClFN3O2/c1-11-4-9-15(25-11)10-22(3)18(24)16-12(2)21-23(17(16)19)14-7-5-13(20)6-8-14/h4-9H,10H2,1-3H3
InChIKeyWPUXGABXUDACSO-UHFFFAOYSA-N
MW361.80 g/mol
LogP4.15
Rot. Bonds4

About 5-chloro-1-(4-fluorophenyl)-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-4-carboxamide

5-chloro-1-(4-fluorophenyl)-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-4-carboxamide (PubChem CID 31150856) has the molecular formula C18H17ClFN3O2 and a molecular weight of 361.80 g/mol. Its IUPAC name is 5-chloro-1-(4-fluorophenyl)-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-1-(4-fluorophenyl)-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-4-carboxamide
PubChem CID31150856
Molecular FormulaC18H17ClFN3O2
Molecular Weight361.80 g/mol
Exact Mass361.10
IUPAC Name5-chloro-1-(4-fluorophenyl)-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-4-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2c(C)nn(-c3ccc(F)cc3)c2Cl)o1
InChIInChI=1S/C18H17ClFN3O2/c1-11-4-9-15(25-11)10-22(3)18(24)16-12(2)21-23(17(16)19)14-7-5-13(20)6-8-14/h4-9H,10H2,1-3H3
InChIKeyWPUXGABXUDACSO-UHFFFAOYSA-N
XLogP4.15
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.80
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)-N,3-dimethylpyrazole-4-carboxamide
CID 55360982
5-chloro-1-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N,3-dimethylpyrazole-4-carboxamide
CID 31240354
5-chloro-1-(4-fluorophenyl)-N,N-bis(2-methoxyethyl)-3-methylpyrazole-4-carboxamide
CID 55370769
5-chloro-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-methylpyrazole-4-carboxamide
CID 27649949
N-[(2-bromophenyl)methyl]-1-(4-fluorophenyl)-N,3,5-trimethylpyrazole-4-carboxamide
CID 29213193
5-chloro-N-[(4-ethoxyphenyl)methyl]-N,3-dimethyl-1-phenylpyrazole-4-carboxamide
CID 27822859
2,3,5-trichloro-6-hydroxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 112820841
2-(4-fluorophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 78784494
5-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 6486849
5-chloro-1-(4-fluorophenyl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-carboxamide
CID 30823116
5-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-indole-2-carboxamide
CID 118708590
1-(4-fluorophenyl)-N,5-dimethyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1,2,4-triazole-3-carboxamide
CID 94474514

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(4-fluorophenyl)-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 5-chloro-1-(4-fluorophenyl)-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-4-carboxamide (CID 31150856) is 5-chloro-1-(4-fluorophenyl)-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-1-(4-fluorophenyl)-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-1-(4-fluorophenyl)-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-4-carboxamide is Cc1ccc(CN(C)C(=O)c2c(C)nn(-c3ccc(F)cc3)c2Cl)o1.
What is the InChIKey of 5-chloro-1-(4-fluorophenyl)-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is WPUXGABXUDACSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN3O2/c1-11-4-9-15(25-11)10-22(3)18(24)16-12(2)21-23(17(16)19)14-7-5-13(20)6-8-14/h4-9H,10H2,1-3H3.
What are the key properties of 5-chloro-1-(4-fluorophenyl)-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-4-carboxamide?
5-chloro-1-(4-fluorophenyl)-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 361.80 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(4-fluorophenyl)-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 31150856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).