N-(1,3-dimethylpyrazol-4-yl)-2-propan-2-yloxane-3-carboxamide

C14H23N3O2 — CID 128995890

IUPACN-(1,3-dimethylpyrazol-4-yl)-2-propan-2-yloxane-3-carboxamide
SMILESCc1nn(C)cc1NC(=O)C1CCCOC1C(C)C
InChIInChI=1S/C14H23N3O2/c1-9(2)13-11(6-5-7-19-13)14(18)15-12-8-17(4)16-10(12)3/h8-9,11,13H,5-7H2,1-4H3,(H,15,18)
InChIKeyLRUFRPRSZDBXEV-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.12
Rot. Bonds3

About N-(1,3-dimethylpyrazol-4-yl)-2-propan-2-yloxane-3-carboxamide

N-(1,3-dimethylpyrazol-4-yl)-2-propan-2-yloxane-3-carboxamide (PubChem CID 128995890) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazol-4-yl)-2-propan-2-yloxane-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazol-4-yl)-2-propan-2-yloxane-3-carboxamide
PubChem CID128995890
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-(1,3-dimethylpyrazol-4-yl)-2-propan-2-yloxane-3-carboxamide
SMILESCc1nn(C)cc1NC(=O)C1CCCOC1C(C)C
InChIInChI=1S/C14H23N3O2/c1-9(2)13-11(6-5-7-19-13)14(18)15-12-8-17(4)16-10(12)3/h8-9,11,13H,5-7H2,1-4H3,(H,15,18)
InChIKeyLRUFRPRSZDBXEV-UHFFFAOYSA-N
XLogP2.12
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R)-N-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-propan-2-yloxane-3-carboxamide
CID 129492789
N-(3-ethyl-4-pyridinyl)-2-propan-2-yloxane-3-carboxamide
CID 129001486
6-[(1,3-dimethylpyrazol-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 19620255
(2R,3R)-N-(3-hydroxy-2-pyridinyl)-2-propan-2-yloxane-3-carboxamide
CID 129492775
trans-(1R,2R)-N-(1,3-dimethylpyrazol-4-yl)-2-(4-pyridin-2-ylbenzoyl)cyclohexane-1-carboxamide
CID 155552934
(3R)-N-(1,3-dimethylpyrazol-4-yl)piperidine-3-carboxamide
CID 102805576
(2R,3R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-yloxane-3-carboxamide
CID 129492505
1,3-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyrazole-4-carboxamide
CID 51390176
4-amino-N-(1,3-dimethylpyrazol-4-yl)cyclopent-2-ene-1-carboxamide
CID 102805596
2-[(1,3-dimethylpyrazol-4-yl)amino]-N-propan-2-ylpropanamide
CID 102805494
2-amino-N-(1,3-dimethylpyrazol-4-yl)-3-methylbutanamide
CID 103796990
(2S,3S)-N-(2,3-dimethyl-5-sulfamoylphenyl)-2-propan-2-yloxolane-3-carboxamide
CID 125139107

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-2-propan-2-yloxane-3-carboxamide?
The IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-2-propan-2-yloxane-3-carboxamide (CID 128995890) is N-(1,3-dimethylpyrazol-4-yl)-2-propan-2-yloxane-3-carboxamide.
What is the SMILES notation for N-(1,3-dimethylpyrazol-4-yl)-2-propan-2-yloxane-3-carboxamide?
The canonical SMILES for N-(1,3-dimethylpyrazol-4-yl)-2-propan-2-yloxane-3-carboxamide is Cc1nn(C)cc1NC(=O)C1CCCOC1C(C)C.
What is the InChIKey of N-(1,3-dimethylpyrazol-4-yl)-2-propan-2-yloxane-3-carboxamide?
The InChIKey is LRUFRPRSZDBXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-9(2)13-11(6-5-7-19-13)14(18)15-12-8-17(4)16-10(12)3/h8-9,11,13H,5-7H2,1-4H3,(H,15,18).
What are the key properties of N-(1,3-dimethylpyrazol-4-yl)-2-propan-2-yloxane-3-carboxamide?
N-(1,3-dimethylpyrazol-4-yl)-2-propan-2-yloxane-3-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazol-4-yl)-2-propan-2-yloxane-3-carboxamide is sourced from PubChem (CID 128995890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).