2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide

C19H21ClF4N4O2 — CID 19535765

IUPAC2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide
SMILESCC(C(=O)Nc1cccc(CN2CCOCC2)c1)n1nc(C(F)F)c(Cl)c1C(F)F
InChIInChI=1S/C19H21ClF4N4O2/c1-11(28-16(18(23)24)14(20)15(26-28)17(21)22)19(29)25-13-4-2-3-12(9-13)10-27-5-7-30-8-6-27/h2-4,9,11,17-18H,5-8,10H2,1H3,(H,25,29)
InChIKeyUQGGURIHBAWZSZ-UHFFFAOYSA-N
MW448.85 g/mol
LogP4.44
Rot. Bonds7

About 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide

2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide (PubChem CID 19535765) has the molecular formula C19H21ClF4N4O2 and a molecular weight of 448.85 g/mol. Its IUPAC name is 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide
PubChem CID19535765
Molecular FormulaC19H21ClF4N4O2
Molecular Weight448.85 g/mol
Exact Mass448.13
IUPAC Name2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide
SMILESCC(C(=O)Nc1cccc(CN2CCOCC2)c1)n1nc(C(F)F)c(Cl)c1C(F)F
InChIInChI=1S/C19H21ClF4N4O2/c1-11(28-16(18(23)24)14(20)15(26-28)17(21)22)19(29)25-13-4-2-3-12(9-13)10-27-5-7-30-8-6-27/h2-4,9,11,17-18H,5-8,10H2,1H3,(H,25,29)
InChIKeyUQGGURIHBAWZSZ-UHFFFAOYSA-N
XLogP4.44
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.85
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(2,6-dichlorophenyl)propanamide
CID 19535671
2-(4-bromopyrazol-1-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide
CID 19537582
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]acetamide
CID 19525218
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]propanamide
CID 19535845
2-(3-methylpyrazol-1-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]acetamide
CID 19516890
2-(3-tert-butylphenoxy)-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide
CID 60585839
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]propanamide
CID 19535896
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(5-chloro-2-hydroxyphenyl)propanamide
CID 19535669
N-[3-(morpholin-4-ylmethyl)phenyl]-2-phenoxy-2-phenylacetamide
CID 47776428
4-bromo-1,3-dimethyl-N-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-5-carboxamide
CID 998824
1-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477537
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide
CID 19535789

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide?
The IUPAC name of 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide (CID 19535765) is 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide.
What is the SMILES notation for 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide?
The canonical SMILES for 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide is CC(C(=O)Nc1cccc(CN2CCOCC2)c1)n1nc(C(F)F)c(Cl)c1C(F)F.
What is the InChIKey of 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide?
The InChIKey is UQGGURIHBAWZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClF4N4O2/c1-11(28-16(18(23)24)14(20)15(26-28)17(21)22)19(29)25-13-4-2-3-12(9-13)10-27-5-7-30-8-6-27/h2-4,9,11,17-18H,5-8,10H2,1H3,(H,25,29).
What are the key properties of 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide?
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide has a molecular weight of 448.85 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 19535765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).