N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-1-methyl-3-(oxan-4-yl)pyrazole-5-carboxamide

C17H27N3O3 — CID 164643020

IUPACN-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-1-methyl-3-(oxan-4-yl)pyrazole-5-carboxamide
SMILESCn1nc(C2CCOCC2)cc1C(=O)NC[C@H]1CCC(C)(C)O1
InChIInChI=1S/C17H27N3O3/c1-17(2)7-4-13(23-17)11-18-16(21)15-10-14(19-20(15)3)12-5-8-22-9-6-12/h10,12-13H,4-9,11H2,1-3H3,(H,18,21)/t13-/m1/s1
InChIKeyDROPETDEXBHUDL-CYBMUJFWSA-N
MW321.42 g/mol
LogP2.00
Rot. Bonds4

About N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-1-methyl-3-(oxan-4-yl)pyrazole-5-carboxamide

N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-1-methyl-3-(oxan-4-yl)pyrazole-5-carboxamide (PubChem CID 164643020) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-1-methyl-3-(oxan-4-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-1-methyl-3-(oxan-4-yl)pyrazole-5-carboxamide
PubChem CID164643020
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC NameN-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-1-methyl-3-(oxan-4-yl)pyrazole-5-carboxamide
SMILESCn1nc(C2CCOCC2)cc1C(=O)NC[C@H]1CCC(C)(C)O1
InChIInChI=1S/C17H27N3O3/c1-17(2)7-4-13(23-17)11-18-16(21)15-10-14(19-20(15)3)12-5-8-22-9-6-12/h10,12-13H,4-9,11H2,1-3H3,(H,18,21)/t13-/m1/s1
InChIKeyDROPETDEXBHUDL-CYBMUJFWSA-N
XLogP2.00
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-1-methyl-3-(oxan-4-yl)pyrazole-5-carboxamide with MolForge

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Related Compounds

1-tert-butyl-N-[(4-carbamoyloxan-4-yl)methyl]-5-cyclopropylpyrazole-3-carboxamide
CID 53506760
1-tert-butyl-N-[(4-carbamoyloxan-4-yl)methyl]-3-cyclopropylpyrazole-5-carboxamide
CID 53507037
1-tert-butyl-N-[2-hydroxy-2-(oxan-4-yl)ethyl]-5-propan-2-ylpyrazole-3-carboxamide
CID 56793726
1-ethyl-3-isobutyl-N-[3-(4-morpholinyl)propyl]-1H-pyrazole-5-carboxamide
CID 70707303
1-ethyl-N-(3-methoxypropyl)-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 70710179
1-ethyl-3-isopropyl-N-(3-methoxypropyl)-1H-pyrazole-5-carboxamide
CID 70735757
2-[5-cyclopropyl-3-(morpholine-4-carbonyl)-1H-pyrazol-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 42285789
8-[(1-ethyl-3-isobutyl-1H-pyrazol-5-yl)carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 50969258
1,5-anhydro-2,3-dideoxy-4-O-(2-hydroxyethyl)-3-{[(1-methyl-3-propyl-1H-pyrazol-5-yl)carbonyl]amino}-D-threo-pentitol
CID 91762369
N-[rac-7-(dimethylamino)-2-oxabicyclo[3.2.0]hept-6-yl]-1-(2-ethoxyethyl)-3-methyl-1H-pyrazole-5-carboxamide
CID 91796577
(1,3-dimethyl-1H-pyrazol-5-yl)(4-methoxy-1-oxa-9-azaspiro[5.5]undec-9-yl)methanone
CID 91917948
6-Methyl-4-oxo-N~2~-(tetrahydro-2-furanylmethyl)-4,5-dihydropyrazolo[1,5-A]pyrazine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-1-methyl-3-(oxan-4-yl)pyrazole-5-carboxamide?
The IUPAC name of N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-1-methyl-3-(oxan-4-yl)pyrazole-5-carboxamide (CID 164643020) is N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-1-methyl-3-(oxan-4-yl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-1-methyl-3-(oxan-4-yl)pyrazole-5-carboxamide?
The canonical SMILES for N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-1-methyl-3-(oxan-4-yl)pyrazole-5-carboxamide is Cn1nc(C2CCOCC2)cc1C(=O)NC[C@H]1CCC(C)(C)O1.
What is the InChIKey of N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-1-methyl-3-(oxan-4-yl)pyrazole-5-carboxamide?
The InChIKey is DROPETDEXBHUDL-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-17(2)7-4-13(23-17)11-18-16(21)15-10-14(19-20(15)3)12-5-8-22-9-6-12/h10,12-13H,4-9,11H2,1-3H3,(H,18,21)/t13-/m1/s1.
What are the key properties of N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-1-methyl-3-(oxan-4-yl)pyrazole-5-carboxamide?
N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-1-methyl-3-(oxan-4-yl)pyrazole-5-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-1-methyl-3-(oxan-4-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 164643020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).