4-chloro-1-methyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-5-carboxamide

C11H16ClN3O2 — CID 6468313

IUPAC4-chloro-1-methyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-5-carboxamide
SMILESCC(NC(=O)c1c(Cl)cnn1C)C1CCCO1
InChIInChI=1S/C11H16ClN3O2/c1-7(9-4-3-5-17-9)14-11(16)10-8(12)6-13-15(10)2/h6-7,9H,3-5H2,1-2H3,(H,14,16)
InChIKeyBHSJAKOKBWUYFJ-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.37
Rot. Bonds3

About 4-chloro-1-methyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-5-carboxamide

4-chloro-1-methyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-5-carboxamide (PubChem CID 6468313) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-5-carboxamide
PubChem CID6468313
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name4-chloro-1-methyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-5-carboxamide
SMILESCC(NC(=O)c1c(Cl)cnn1C)C1CCCO1
InChIInChI=1S/C11H16ClN3O2/c1-7(9-4-3-5-17-9)14-11(16)10-8(12)6-13-15(10)2/h6-7,9H,3-5H2,1-2H3,(H,14,16)
InChIKeyBHSJAKOKBWUYFJ-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-cyclopentyl-1-methyl-1H-pyrazole-5-carboxamide
CID 903070
4-chloro-2-methyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 6464856
1-methyl-N-[1-(tetrahydro-2-furanyl)ethyl]-1H-pyrazole-5-carboxamide
CID 4770715
4-chloro-1-ethyl-N-(2-methoxyethyl)pyrazole-3-carboxamide
CID 19263455
4-chloro-N-(3-ethoxypropyl)-1-ethylpyrazole-3-carboxamide
CID 19263505
N-[(3R,4R)-1-(4-chloro-1-propylpyrazole-3-carbonyl)-4-hydroxypyrrolidin-3-yl]acetamide
CID 110132973
4-chloro-N-(2-methoxyethyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 6464363
4-chloro-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-5-carboxamide
CID 40635765
4-chloro-1-methyl-N-[rac-(1S,5R,6S)-2-oxabicyclo[3.2.0]hept-6-yl]-1H-pyrazole-3-carboxamide
CID 91786410
4-chloro-1-methyl-N-[3-[(2S)-oxan-2-yl]prop-2-ynyl]pyrazole-3-carboxamide
CID 164640289
4-chloro-1-methyl-N-[1-(tetrahydro-2-furanyl)ethyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 4712815
4-chloro-1-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 40440655

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-5-carboxamide (CID 6468313) is 4-chloro-1-methyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-5-carboxamide is CC(NC(=O)c1c(Cl)cnn1C)C1CCCO1.
What is the InChIKey of 4-chloro-1-methyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-5-carboxamide?
The InChIKey is BHSJAKOKBWUYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-7(9-4-3-5-17-9)14-11(16)10-8(12)6-13-15(10)2/h6-7,9H,3-5H2,1-2H3,(H,14,16).
What are the key properties of 4-chloro-1-methyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-5-carboxamide?
4-chloro-1-methyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-5-carboxamide has a molecular weight of 257.72 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 6468313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).