N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]oxolane-3-carboxamide

C17H21N3O2 — CID 56759420

IUPACN-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]oxolane-3-carboxamide
SMILESCc1ccccc1-n1cc(CN(C)C(=O)C2CCOC2)cn1
InChIInChI=1S/C17H21N3O2/c1-13-5-3-4-6-16(13)20-11-14(9-18-20)10-19(2)17(21)15-7-8-22-12-15/h3-6,9,11,15H,7-8,10,12H2,1-2H3
InChIKeyOFZXUSLPKSGDOJ-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.18
Rot. Bonds4

About N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]oxolane-3-carboxamide

N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]oxolane-3-carboxamide (PubChem CID 56759420) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]oxolane-3-carboxamide
PubChem CID56759420
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]oxolane-3-carboxamide
SMILESCc1ccccc1-n1cc(CN(C)C(=O)C2CCOC2)cn1
InChIInChI=1S/C17H21N3O2/c1-13-5-3-4-6-16(13)20-11-14(9-18-20)10-19(2)17(21)15-7-8-22-12-15/h3-6,9,11,15H,7-8,10,12H2,1-2H3
InChIKeyOFZXUSLPKSGDOJ-UHFFFAOYSA-N
XLogP2.18
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(9S)-N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
CID 125155795
N,2-dimethyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56896932
N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]oxolane-3-carboxamide
CID 70740916
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]morpholine-3-carboxamide
CID 119694754
N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-1,4-dithiepan-6-amine
CID 131951782
N-[(3-carbamothioylphenyl)methyl]-N-methyloxolane-3-carboxamide
CID 55141744
(3S)-N-methyl-1,1-dioxo-N-[(1-phenylpyrazol-4-yl)methyl]thiolane-3-carboxamide
CID 8962417
3-[[1-(methoxymethyl)cyclopentyl]methyl]-1-methyl-1-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]urea
CID 122566068
N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide
CID 72861011
N-methyl-1-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 30039620
N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-1-pyrimidin-5-ylmethanamine
CID 131920376
1-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]methanamine
CID 46987532

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]oxolane-3-carboxamide?
The IUPAC name of N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]oxolane-3-carboxamide (CID 56759420) is N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]oxolane-3-carboxamide.
What is the SMILES notation for N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]oxolane-3-carboxamide?
The canonical SMILES for N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]oxolane-3-carboxamide is Cc1ccccc1-n1cc(CN(C)C(=O)C2CCOC2)cn1.
What is the InChIKey of N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]oxolane-3-carboxamide?
The InChIKey is OFZXUSLPKSGDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-13-5-3-4-6-16(13)20-11-14(9-18-20)10-19(2)17(21)15-7-8-22-12-15/h3-6,9,11,15H,7-8,10,12H2,1-2H3.
What are the key properties of N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]oxolane-3-carboxamide?
N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]oxolane-3-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]oxolane-3-carboxamide is sourced from PubChem (CID 56759420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).