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

C10H14ClN3O2 — CID 40635765

IUPAC4-chloro-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)NC[C@H]1CCCO1
InChIInChI=1S/C10H14ClN3O2/c1-14-9(8(11)6-13-14)10(15)12-5-7-3-2-4-16-7/h6-7H,2-5H2,1H3,(H,12,15)/t7-/m1/s1
InChIKeyXDZKNACRZHTOQG-SSDOTTSWSA-N
MW243.69 g/mol
LogP0.98
Rot. Bonds3

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

4-chloro-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-5-carboxamide (PubChem CID 40635765) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-5-carboxamide
PubChem CID40635765
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name4-chloro-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)NC[C@H]1CCCO1
InChIInChI=1S/C10H14ClN3O2/c1-14-9(8(11)6-13-14)10(15)12-5-7-3-2-4-16-7/h6-7H,2-5H2,1H3,(H,12,15)/t7-/m1/s1
InChIKeyXDZKNACRZHTOQG-SSDOTTSWSA-N
XLogP0.98
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-cyclopentyl-1-methyl-1H-pyrazole-3-carboxamide
CID 891856
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
4-chloro-1-methyl-N-[1-(tetrahydro-2-furanyl)ethyl]-1H-pyrazole-5-carboxamide
CID 6468313
1-methyl-N-{[(2S)-oxolan-2-yl]methyl}-1H-pyrazole-3-carboxamide
CID 1224835
(4-Chloro-2-methylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 6470292
(R)-1-Methyl-N-((tetrahydrofuran-2-yl)methyl)-1H-pyrazole-3-carboxamide
CID 1224834
1-methyl-N-[1-(tetrahydro-2-furanyl)ethyl]-1H-pyrazole-5-carboxamide
CID 4770715
4-chloro-1-ethyl-N-propylpyrazole-3-carboxamide
CID 19263348
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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-5-carboxamide (CID 40635765) is 4-chloro-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-5-carboxamide is Cn1ncc(Cl)c1C(=O)NC[C@H]1CCCO1.
What is the InChIKey of 4-chloro-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-5-carboxamide?
The InChIKey is XDZKNACRZHTOQG-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-14-9(8(11)6-13-14)10(15)12-5-7-3-2-4-16-7/h6-7H,2-5H2,1H3,(H,12,15)/t7-/m1/s1.
What are the key properties of 4-chloro-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-5-carboxamide?
4-chloro-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-5-carboxamide has a molecular weight of 243.69 g/mol, XLogP of 0.98, 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-[[(2R)-oxolan-2-yl]methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 40635765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).