5-chloro-1,3-dimethyl-N-(oxolan-3-ylmethyl)pyrazole-4-carboxamide

C11H16ClN3O2 — CID 47182890

IUPAC5-chloro-1,3-dimethyl-N-(oxolan-3-ylmethyl)pyrazole-4-carboxamide
SMILESCc1nn(C)c(Cl)c1C(=O)NCC1CCOC1
InChIInChI=1S/C11H16ClN3O2/c1-7-9(10(12)15(2)14-7)11(16)13-5-8-3-4-17-6-8/h8H,3-6H2,1-2H3,(H,13,16)
InChIKeyBOOSPYDUPYYHHG-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.15
Rot. Bonds3

About 5-chloro-1,3-dimethyl-N-(oxolan-3-ylmethyl)pyrazole-4-carboxamide

5-chloro-1,3-dimethyl-N-(oxolan-3-ylmethyl)pyrazole-4-carboxamide (PubChem CID 47182890) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 5-chloro-1,3-dimethyl-N-(oxolan-3-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-1,3-dimethyl-N-(oxolan-3-ylmethyl)pyrazole-4-carboxamide
PubChem CID47182890
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name5-chloro-1,3-dimethyl-N-(oxolan-3-ylmethyl)pyrazole-4-carboxamide
SMILESCc1nn(C)c(Cl)c1C(=O)NCC1CCOC1
InChIInChI=1S/C11H16ClN3O2/c1-7-9(10(12)15(2)14-7)11(16)13-5-8-3-4-17-6-8/h8H,3-6H2,1-2H3,(H,13,16)
InChIKeyBOOSPYDUPYYHHG-UHFFFAOYSA-N
XLogP1.15
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,5-trimethyl-N-(oxolan-3-ylmethyl)pyrazole-4-carboxamide
CID 53499972
5-chloro-1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide
CID 47141788
1-(2,5-dimethylpyrazol-3-yl)-3-(oxolan-3-ylmethyl)urea
CID 47198130
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-one
CID 103986084
6-chloro-N-(oxolan-3-ylmethyl)pyridazine-3-carboxamide
CID 61052267
5-chloro-1,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxamide
CID 51312965
2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]-3-cyclobutylpropanoic acid
CID 166317992
2-chloro-6-ethyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide
CID 113379822
ethane;3-methyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide
CID 169269117
N-[(3-aminocyclohexyl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 106123491
5-chloro-N-methoxy-1,3-dimethylpyrazole-4-carboxamide
CID 47143740
N-(oxan-4-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 71703462

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,3-dimethyl-N-(oxolan-3-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 5-chloro-1,3-dimethyl-N-(oxolan-3-ylmethyl)pyrazole-4-carboxamide (CID 47182890) is 5-chloro-1,3-dimethyl-N-(oxolan-3-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-1,3-dimethyl-N-(oxolan-3-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-1,3-dimethyl-N-(oxolan-3-ylmethyl)pyrazole-4-carboxamide is Cc1nn(C)c(Cl)c1C(=O)NCC1CCOC1.
What is the InChIKey of 5-chloro-1,3-dimethyl-N-(oxolan-3-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is BOOSPYDUPYYHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-7-9(10(12)15(2)14-7)11(16)13-5-8-3-4-17-6-8/h8H,3-6H2,1-2H3,(H,13,16).
What are the key properties of 5-chloro-1,3-dimethyl-N-(oxolan-3-ylmethyl)pyrazole-4-carboxamide?
5-chloro-1,3-dimethyl-N-(oxolan-3-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 257.72 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,3-dimethyl-N-(oxolan-3-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 47182890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).