2-(2-chloro-6-fluorophenyl)-N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)cyclopropane-1-carboxamide

C20H18ClFN4O2 — CID 102558021

IUPAC2-(2-chloro-6-fluorophenyl)-N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCc1nn(C)c(Oc2cccnc2)c1NC(=O)C1CC1c1c(F)cccc1Cl
InChIInChI=1S/C20H18ClFN4O2/c1-11-18(20(26(2)25-11)28-12-5-4-8-23-10-12)24-19(27)14-9-13(14)17-15(21)6-3-7-16(17)22/h3-8,10,13-14H,9H2,1-2H3,(H,24,27)
InChIKeyNYYKVLCQMDDYPY-UHFFFAOYSA-N
MW400.84 g/mol
LogP4.45
Rot. Bonds5

About 2-(2-chloro-6-fluorophenyl)-N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)cyclopropane-1-carboxamide

2-(2-chloro-6-fluorophenyl)-N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 102558021) has the molecular formula C20H18ClFN4O2 and a molecular weight of 400.84 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)cyclopropane-1-carboxamide
PubChem CID102558021
Molecular FormulaC20H18ClFN4O2
Molecular Weight400.84 g/mol
Exact Mass400.11
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCc1nn(C)c(Oc2cccnc2)c1NC(=O)C1CC1c1c(F)cccc1Cl
InChIInChI=1S/C20H18ClFN4O2/c1-11-18(20(26(2)25-11)28-12-5-4-8-23-10-12)24-19(27)14-9-13(14)17-15(21)6-3-7-16(17)22/h3-8,10,13-14H,9H2,1-2H3,(H,24,27)
InChIKeyNYYKVLCQMDDYPY-UHFFFAOYSA-N
XLogP4.45
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.84
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)cyclopropane-1-carboxamide (CID 102558021) is 2-(2-chloro-6-fluorophenyl)-N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)cyclopropane-1-carboxamide is Cc1nn(C)c(Oc2cccnc2)c1NC(=O)C1CC1c1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is NYYKVLCQMDDYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN4O2/c1-11-18(20(26(2)25-11)28-12-5-4-8-23-10-12)24-19(27)14-9-13(14)17-15(21)6-3-7-16(17)22/h3-8,10,13-14H,9H2,1-2H3,(H,24,27).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)cyclopropane-1-carboxamide?
2-(2-chloro-6-fluorophenyl)-N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 400.84 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 102558021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).