5-chloro-3-methyl-1-(2-methylpropyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide

C14H22ClN3O2 — CID 42906156

IUPAC5-chloro-3-methyl-1-(2-methylpropyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
SMILESCc1nn(CC(C)C)c(Cl)c1C(=O)NCC1CCCO1
InChIInChI=1S/C14H22ClN3O2/c1-9(2)8-18-13(15)12(10(3)17-18)14(19)16-7-11-5-4-6-20-11/h9,11H,4-8H2,1-3H3,(H,16,19)
InChIKeyBOIKHBZDZZPOPH-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.41
Rot. Bonds5

About 5-chloro-3-methyl-1-(2-methylpropyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide

5-chloro-3-methyl-1-(2-methylpropyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide (PubChem CID 42906156) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is 5-chloro-3-methyl-1-(2-methylpropyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-3-methyl-1-(2-methylpropyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
PubChem CID42906156
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name5-chloro-3-methyl-1-(2-methylpropyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
SMILESCc1nn(CC(C)C)c(Cl)c1C(=O)NCC1CCCO1
InChIInChI=1S/C14H22ClN3O2/c1-9(2)8-18-13(15)12(10(3)17-18)14(19)16-7-11-5-4-6-20-11/h9,11H,4-8H2,1-3H3,(H,16,19)
InChIKeyBOIKHBZDZZPOPH-UHFFFAOYSA-N
XLogP2.41
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-{[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbonyl]amino}acetate
CID 3716979
5-chloro-N-cyclopentyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 24687575
5-chloro-3-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 25557390
N-[(4-carbamoyloxan-4-yl)methyl]-5-chloro-1,3-dimethylpyrazole-4-carboxamide
CID 56797963
N-butan-2-yl-5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 16265645
5-chloro-1,3-dimethyl-N-(2-pentan-3-yloxan-4-yl)pyrazole-4-carboxamide
CID 75448455
1-isopropyl-5-methyl-N-((tetrahydrofuran-2-yl)methyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 49675643
5-chloro-N-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 57335423
5-chloro-N-(2-cyclopropylethyl)-3-(difluoromethyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 57335425
5-chloro-3-(difluoromethyl)-1-methyl-N-[5-(oxolan-2-yl)nonan-5-yl]pyrazole-4-carboxamide
CID 57335574
3-(difluoromethyl)-5-fluoro-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 57335575
5-chloro-3-(difluoromethyl)-N,1-dimethyl-N-[(5-methyloxolan-2-yl)methyl]pyrazole-4-carboxamide
CID 57335713

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-1-(2-methylpropyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 5-chloro-3-methyl-1-(2-methylpropyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide (CID 42906156) is 5-chloro-3-methyl-1-(2-methylpropyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-3-methyl-1-(2-methylpropyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-3-methyl-1-(2-methylpropyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide is Cc1nn(CC(C)C)c(Cl)c1C(=O)NCC1CCCO1.
What is the InChIKey of 5-chloro-3-methyl-1-(2-methylpropyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is BOIKHBZDZZPOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2/c1-9(2)8-18-13(15)12(10(3)17-18)14(19)16-7-11-5-4-6-20-11/h9,11H,4-8H2,1-3H3,(H,16,19).
What are the key properties of 5-chloro-3-methyl-1-(2-methylpropyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide?
5-chloro-3-methyl-1-(2-methylpropyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 299.80 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-1-(2-methylpropyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 42906156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).