2-(4-chloro-3-methylpyrazol-1-yl)-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]propanamide

C17H13ClF5N5O — CID 19286884

IUPAC2-(4-chloro-3-methylpyrazol-1-yl)-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]propanamide
SMILESCc1nn(C(C)C(=O)Nc2ccn(Cc3c(F)c(F)c(F)c(F)c3F)n2)cc1Cl
InChIInChI=1S/C17H13ClF5N5O/c1-7-10(18)6-28(25-7)8(2)17(29)24-11-3-4-27(26-11)5-9-12(19)14(21)16(23)15(22)13(9)20/h3-4,6,8H,5H2,1-2H3,(H,24,26,29)
InChIKeyOOBZAQWMTGHUNF-UHFFFAOYSA-N
MW433.77 g/mol
LogP3.98
Rot. Bonds5

About 2-(4-chloro-3-methylpyrazol-1-yl)-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]propanamide

2-(4-chloro-3-methylpyrazol-1-yl)-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]propanamide (PubChem CID 19286884) has the molecular formula C17H13ClF5N5O and a molecular weight of 433.77 g/mol. Its IUPAC name is 2-(4-chloro-3-methylpyrazol-1-yl)-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylpyrazol-1-yl)-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]propanamide
PubChem CID19286884
Molecular FormulaC17H13ClF5N5O
Molecular Weight433.77 g/mol
Exact Mass433.07
IUPAC Name2-(4-chloro-3-methylpyrazol-1-yl)-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]propanamide
SMILESCc1nn(C(C)C(=O)Nc2ccn(Cc3c(F)c(F)c(F)c(F)c3F)n2)cc1Cl
InChIInChI=1S/C17H13ClF5N5O/c1-7-10(18)6-28(25-7)8(2)17(29)24-11-3-4-27(26-11)5-9-12(19)14(21)16(23)15(22)13(9)20/h3-4,6,8H,5H2,1-2H3,(H,24,26,29)
InChIKeyOOBZAQWMTGHUNF-UHFFFAOYSA-N
XLogP3.98
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.77
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286709
N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-(4-chloro-3-methylpyrazol-1-yl)propanamide
CID 19347331
N-(1-benzylpyrazol-3-yl)-2-(4-bromopyrazol-1-yl)propanamide
CID 19286317
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 1247534
N-(1-benzylpyrazol-3-yl)-2-(4-chloro-3-methylpyrazol-1-yl)acetamide
CID 4773521
2-(4-chloro-3-methylpyrazol-1-yl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19518288
3-methoxy-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286725
2-chloro-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19286661
4-chloro-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286680
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(5-methylpyrazol-1-yl)propanamide
CID 19537163
N-[1-[(2,3,6-trifluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 68643541
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-methylpyrazol-1-yl)propanamide
CID 19559627

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylpyrazol-1-yl)-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]propanamide?
The IUPAC name of 2-(4-chloro-3-methylpyrazol-1-yl)-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]propanamide (CID 19286884) is 2-(4-chloro-3-methylpyrazol-1-yl)-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]propanamide.
What is the SMILES notation for 2-(4-chloro-3-methylpyrazol-1-yl)-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]propanamide?
The canonical SMILES for 2-(4-chloro-3-methylpyrazol-1-yl)-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]propanamide is Cc1nn(C(C)C(=O)Nc2ccn(Cc3c(F)c(F)c(F)c(F)c3F)n2)cc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylpyrazol-1-yl)-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]propanamide?
The InChIKey is OOBZAQWMTGHUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF5N5O/c1-7-10(18)6-28(25-7)8(2)17(29)24-11-3-4-27(26-11)5-9-12(19)14(21)16(23)15(22)13(9)20/h3-4,6,8H,5H2,1-2H3,(H,24,26,29).
What are the key properties of 2-(4-chloro-3-methylpyrazol-1-yl)-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]propanamide?
2-(4-chloro-3-methylpyrazol-1-yl)-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]propanamide has a molecular weight of 433.77 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylpyrazol-1-yl)-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]propanamide is sourced from PubChem (CID 19286884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).