N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2,2-difluorocyclopropane-1-carboxamide

C14H13ClF2N4O — CID 69261119

IUPACN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2,2-difluorocyclopropane-1-carboxamide
SMILESCCN(C(=O)C1CC1(F)F)c1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C14H13ClF2N4O/c1-2-20(13(22)10-6-14(10,16)17)11-8-21(19-12(11)15)9-4-3-5-18-7-9/h3-5,7-8,10H,2,6H2,1H3
InChIKeyTVZANUGSUHIYSZ-UHFFFAOYSA-N
MW326.73 g/mol
LogP2.93
Rot. Bonds4

About N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2,2-difluorocyclopropane-1-carboxamide

N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2,2-difluorocyclopropane-1-carboxamide (PubChem CID 69261119) has the molecular formula C14H13ClF2N4O and a molecular weight of 326.73 g/mol. Its IUPAC name is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2,2-difluorocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2,2-difluorocyclopropane-1-carboxamide
PubChem CID69261119
Molecular FormulaC14H13ClF2N4O
Molecular Weight326.73 g/mol
Exact Mass326.07
IUPAC NameN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2,2-difluorocyclopropane-1-carboxamide
SMILESCCN(C(=O)C1CC1(F)F)c1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C14H13ClF2N4O/c1-2-20(13(22)10-6-14(10,16)17)11-8-21(19-12(11)15)9-4-3-5-18-7-9/h3-5,7-8,10H,2,6H2,1H3
InChIKeyTVZANUGSUHIYSZ-UHFFFAOYSA-N
XLogP2.93
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.73
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2,2-difluorocyclopropane-1-carboxamide?
The IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2,2-difluorocyclopropane-1-carboxamide (CID 69261119) is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2,2-difluorocyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2,2-difluorocyclopropane-1-carboxamide?
The canonical SMILES for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2,2-difluorocyclopropane-1-carboxamide is CCN(C(=O)C1CC1(F)F)c1cn(-c2cccnc2)nc1Cl.
What is the InChIKey of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2,2-difluorocyclopropane-1-carboxamide?
The InChIKey is TVZANUGSUHIYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF2N4O/c1-2-20(13(22)10-6-14(10,16)17)11-8-21(19-12(11)15)9-4-3-5-18-7-9/h3-5,7-8,10H,2,6H2,1H3.
What are the key properties of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2,2-difluorocyclopropane-1-carboxamide?
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2,2-difluorocyclopropane-1-carboxamide has a molecular weight of 326.73 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2,2-difluorocyclopropane-1-carboxamide is sourced from PubChem (CID 69261119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).