N-[3-(dimethylamino)-2,2-dimethylpropyl]-N'-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]oxamide

C17H29N5O3 — CID 96539659

IUPACN-[3-(dimethylamino)-2,2-dimethylpropyl]-N'-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]oxamide
SMILESCN(C)CC(C)(C)CNC(=O)C(=O)Nc1cnn(C[C@H]2CCCO2)c1
InChIInChI=1S/C17H29N5O3/c1-17(2,12-21(3)4)11-18-15(23)16(24)20-13-8-19-22(9-13)10-14-6-5-7-25-14/h8-9,14H,5-7,10-12H2,1-4H3,(H,18,23)(H,20,24)/t14-/m1/s1
InChIKeyCSMCXKOFOWDDJT-CQSZACIVSA-N
MW351.45 g/mol
LogP0.70
Rot. Bonds7

About N-[3-(dimethylamino)-2,2-dimethylpropyl]-N'-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]oxamide

N-[3-(dimethylamino)-2,2-dimethylpropyl]-N'-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]oxamide (PubChem CID 96539659) has the molecular formula C17H29N5O3 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2,2-dimethylpropyl]-N'-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]oxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-N'-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]oxamide
PubChem CID96539659
Molecular FormulaC17H29N5O3
Molecular Weight351.45 g/mol
Exact Mass351.23
IUPAC NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-N'-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]oxamide
SMILESCN(C)CC(C)(C)CNC(=O)C(=O)Nc1cnn(C[C@H]2CCCO2)c1
InChIInChI=1S/C17H29N5O3/c1-17(2,12-21(3)4)11-18-15(23)16(24)20-13-8-19-22(9-13)10-14-6-5-7-25-14/h8-9,14H,5-7,10-12H2,1-4H3,(H,18,23)(H,20,24)/t14-/m1/s1
InChIKeyCSMCXKOFOWDDJT-CQSZACIVSA-N
XLogP0.70
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methylphenyl)methyl]-N'-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]oxamide
CID 96539643
1-methoxy-1-methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 75393767
2-amino-3,3-dimethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide
CID 76887991
1-(cyclobutylmethyl)-1-methyl-3-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]urea
CID 96567749
2-bromo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide
CID 107903884
N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]prop-2-enamide
CID 129365474
1-[2-ethyl-2-(hydroxymethyl)butyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 136517483
4-(methylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide
CID 60842431
4-(3-hydroxypropyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]piperidine-1-carboxamide
CID 154752369
2-(cyclopropylmethylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 60867277
1-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-3-propan-2-ylurea
CID 121145347
3-(ethylamino)-2-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide
CID 62851309

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-N'-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]oxamide?
The IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-N'-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]oxamide (CID 96539659) is N-[3-(dimethylamino)-2,2-dimethylpropyl]-N'-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]oxamide.
What is the SMILES notation for N-[3-(dimethylamino)-2,2-dimethylpropyl]-N'-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]oxamide?
The canonical SMILES for N-[3-(dimethylamino)-2,2-dimethylpropyl]-N'-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]oxamide is CN(C)CC(C)(C)CNC(=O)C(=O)Nc1cnn(C[C@H]2CCCO2)c1.
What is the InChIKey of N-[3-(dimethylamino)-2,2-dimethylpropyl]-N'-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]oxamide?
The InChIKey is CSMCXKOFOWDDJT-CQSZACIVSA-N. The full InChI is InChI=1S/C17H29N5O3/c1-17(2,12-21(3)4)11-18-15(23)16(24)20-13-8-19-22(9-13)10-14-6-5-7-25-14/h8-9,14H,5-7,10-12H2,1-4H3,(H,18,23)(H,20,24)/t14-/m1/s1.
What are the key properties of N-[3-(dimethylamino)-2,2-dimethylpropyl]-N'-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]oxamide?
N-[3-(dimethylamino)-2,2-dimethylpropyl]-N'-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]oxamide has a molecular weight of 351.45 g/mol, XLogP of 0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2,2-dimethylpropyl]-N'-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]oxamide is sourced from PubChem (CID 96539659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).