3-(dimethylamino)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]benzamide

C18H24N4O2 — CID 129356187

IUPAC3-(dimethylamino)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]benzamide
SMILESCN(C)c1cccc(C(=O)Nc2cnn(C[C@@H]3CCCCO3)c2)c1
InChIInChI=1S/C18H24N4O2/c1-21(2)16-7-5-6-14(10-16)18(23)20-15-11-19-22(12-15)13-17-8-3-4-9-24-17/h5-7,10-12,17H,3-4,8-9,13H2,1-2H3,(H,20,23)/t17-/m0/s1
InChIKeyVITDUEKLAYUBFQ-KRWDZBQOSA-N
MW328.42 g/mol
LogP2.77
Rot. Bonds5

About 3-(dimethylamino)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]benzamide

3-(dimethylamino)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]benzamide (PubChem CID 129356187) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]benzamide
PubChem CID129356187
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name3-(dimethylamino)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]benzamide
SMILESCN(C)c1cccc(C(=O)Nc2cnn(C[C@@H]3CCCCO3)c2)c1
InChIInChI=1S/C18H24N4O2/c1-21(2)16-7-5-6-14(10-16)18(23)20-15-11-19-22(12-15)13-17-8-3-4-9-24-17/h5-7,10-12,17H,3-4,8-9,13H2,1-2H3,(H,20,23)/t17-/m0/s1
InChIKeyVITDUEKLAYUBFQ-KRWDZBQOSA-N
XLogP2.77
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide
CID 129354398
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide
CID 165126942
4-chloro-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 121145185
N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]indolizine-2-carboxamide
CID 129355829
2,5-dimethyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]furan-3-carboxamide
CID 119099745
N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-4-(trifluoromethyl)benzamide
CID 129354391
3,4,5-trimethoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 121145179
2-bromo-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]benzamide
CID 129354375
4-nitro-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 121145194
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 121145260
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-pyrazin-2-yloxybenzamide
CID 136526765
3-fluoro-4-methoxy-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 86999899

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]benzamide (CID 129356187) is 3-(dimethylamino)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]benzamide is CN(C)c1cccc(C(=O)Nc2cnn(C[C@@H]3CCCCO3)c2)c1.
What is the InChIKey of 3-(dimethylamino)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]benzamide?
The InChIKey is VITDUEKLAYUBFQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-21(2)16-7-5-6-14(10-16)18(23)20-15-11-19-22(12-15)13-17-8-3-4-9-24-17/h5-7,10-12,17H,3-4,8-9,13H2,1-2H3,(H,20,23)/t17-/m0/s1.
What are the key properties of 3-(dimethylamino)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]benzamide?
3-(dimethylamino)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]benzamide has a molecular weight of 328.42 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 129356187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).