4-chloro-1,5-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)pyrazole-3-carboxamide

C13H21ClN4O2 — CID 4771563

IUPAC4-chloro-1,5-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)pyrazole-3-carboxamide
SMILESCc1c(Cl)c(C(=O)NC(C)CN2CCOCC2)nn1C
InChIInChI=1S/C13H21ClN4O2/c1-9(8-18-4-6-20-7-5-18)15-13(19)12-11(14)10(2)17(3)16-12/h9H,4-8H2,1-3H3,(H,15,19)
InChIKeyPEHYFXPAFXLCIM-UHFFFAOYSA-N
MW300.79 g/mol
LogP0.83
Rot. Bonds4

About 4-chloro-1,5-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)pyrazole-3-carboxamide

4-chloro-1,5-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)pyrazole-3-carboxamide (PubChem CID 4771563) has the molecular formula C13H21ClN4O2 and a molecular weight of 300.79 g/mol. Its IUPAC name is 4-chloro-1,5-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1,5-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)pyrazole-3-carboxamide
PubChem CID4771563
Molecular FormulaC13H21ClN4O2
Molecular Weight300.79 g/mol
Exact Mass300.14
IUPAC Name4-chloro-1,5-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)pyrazole-3-carboxamide
SMILESCc1c(Cl)c(C(=O)NC(C)CN2CCOCC2)nn1C
InChIInChI=1S/C13H21ClN4O2/c1-9(8-18-4-6-20-7-5-18)15-13(19)12-11(14)10(2)17(3)16-12/h9H,4-8H2,1-3H3,(H,15,19)
InChIKeyPEHYFXPAFXLCIM-UHFFFAOYSA-N
XLogP0.83
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[(3R*,4R*)-3-hydroxypiperidin-4-yl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 70739636
4-chloro-N-cyclopentyl-1,5-dimethyl-1H-pyrazole-3-carboxamide
CID 832003
(4-Chloro-2,5-dimethylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 1236013
4-chloro-1,5-dimethyl-N-morpholin-4-ylpyrazole-3-carboxamide
CID 4768702
4-chloro-1-methyl-N-(morpholin-4-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 4767774
4-chloro-1,5-dimethyl-N-[2-(propanoylamino)ethyl]pyrazole-3-carboxamide
CID 44823734
4-Bromo-1,3-dimethyl-N~5~-(1-methyl-2-morpholinoethyl)-1H-pyrazole-5-carboxamide
CID 4770997
N-tert-butyl-2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]acetamide
CID 42285679
4-chloro-N-cyclohexyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 4769853
4-bromo-1,3-dimethyl-N-[3-(morpholin-4-yl)propyl]-1H-pyrazole-5-carboxamide
CID 19575485
4-Chloro-1,5-dimethylpyrazol-3-yl piperidyl ketone
CID 19578022
N-[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-2-(3-morpholinyl)acetamide
CID 56900021

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,5-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-1,5-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)pyrazole-3-carboxamide (CID 4771563) is 4-chloro-1,5-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-1,5-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-1,5-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)pyrazole-3-carboxamide is Cc1c(Cl)c(C(=O)NC(C)CN2CCOCC2)nn1C.
What is the InChIKey of 4-chloro-1,5-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)pyrazole-3-carboxamide?
The InChIKey is PEHYFXPAFXLCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O2/c1-9(8-18-4-6-20-7-5-18)15-13(19)12-11(14)10(2)17(3)16-12/h9H,4-8H2,1-3H3,(H,15,19).
What are the key properties of 4-chloro-1,5-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)pyrazole-3-carboxamide?
4-chloro-1,5-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)pyrazole-3-carboxamide has a molecular weight of 300.79 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,5-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 4771563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).