4-chloro-N-[1-(methoxymethyl)cyclopentyl]-1,3-dimethylpyrazole-5-carboxamide

C13H20ClN3O2 — CID 77083879

IUPAC4-chloro-N-[1-(methoxymethyl)cyclopentyl]-1,3-dimethylpyrazole-5-carboxamide
SMILESCOCC1(NC(=O)c2c(Cl)c(C)nn2C)CCCC1
InChIInChI=1S/C13H20ClN3O2/c1-9-10(14)11(17(2)16-9)12(18)15-13(8-19-3)6-4-5-7-13/h4-8H2,1-3H3,(H,15,18)
InChIKeyMIJZHAKMYVNFIX-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.07
Rot. Bonds4

About 4-chloro-N-[1-(methoxymethyl)cyclopentyl]-1,3-dimethylpyrazole-5-carboxamide

4-chloro-N-[1-(methoxymethyl)cyclopentyl]-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 77083879) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.77 g/mol. Its IUPAC name is 4-chloro-N-[1-(methoxymethyl)cyclopentyl]-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[1-(methoxymethyl)cyclopentyl]-1,3-dimethylpyrazole-5-carboxamide
PubChem CID77083879
Molecular FormulaC13H20ClN3O2
Molecular Weight285.77 g/mol
Exact Mass285.12
IUPAC Name4-chloro-N-[1-(methoxymethyl)cyclopentyl]-1,3-dimethylpyrazole-5-carboxamide
SMILESCOCC1(NC(=O)c2c(Cl)c(C)nn2C)CCCC1
InChIInChI=1S/C13H20ClN3O2/c1-9-10(14)11(17(2)16-9)12(18)15-13(8-19-3)6-4-5-7-13/h4-8H2,1-3H3,(H,15,18)
InChIKeyMIJZHAKMYVNFIX-UHFFFAOYSA-N
XLogP2.07
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(methoxymethyl)cyclopentyl]-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[1-(methoxymethyl)cyclopentyl]-1,3-dimethylpyrazole-5-carboxamide (CID 77083879) is 4-chloro-N-[1-(methoxymethyl)cyclopentyl]-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[1-(methoxymethyl)cyclopentyl]-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[1-(methoxymethyl)cyclopentyl]-1,3-dimethylpyrazole-5-carboxamide is COCC1(NC(=O)c2c(Cl)c(C)nn2C)CCCC1.
What is the InChIKey of 4-chloro-N-[1-(methoxymethyl)cyclopentyl]-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is MIJZHAKMYVNFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-9-10(14)11(17(2)16-9)12(18)15-13(8-19-3)6-4-5-7-13/h4-8H2,1-3H3,(H,15,18).
What are the key properties of 4-chloro-N-[1-(methoxymethyl)cyclopentyl]-1,3-dimethylpyrazole-5-carboxamide?
4-chloro-N-[1-(methoxymethyl)cyclopentyl]-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 285.77 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(methoxymethyl)cyclopentyl]-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 77083879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).