(2S)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-2-phenylbutanamide

C19H25N3O2 — CID 129354476

IUPAC(2S)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-2-phenylbutanamide
SMILESCC[C@H](C(=O)Nc1cnn(C[C@@H]2CCCCO2)c1)c1ccccc1
InChIInChI=1S/C19H25N3O2/c1-2-18(15-8-4-3-5-9-15)19(23)21-16-12-20-22(13-16)14-17-10-6-7-11-24-17/h3-5,8-9,12-13,17-18H,2,6-7,10-11,14H2,1H3,(H,21,23)/t17-,18-/m0/s1
InChIKeyVPEGYEWEHFJLAG-ROUUACIJSA-N
MW327.43 g/mol
LogP3.58
Rot. Bonds6

About (2S)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-2-phenylbutanamide

(2S)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-2-phenylbutanamide (PubChem CID 129354476) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is (2S)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-2-phenylbutanamide.

Molecular Properties

Compound Name(2S)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-2-phenylbutanamide
PubChem CID129354476
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name(2S)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-2-phenylbutanamide
SMILESCC[C@H](C(=O)Nc1cnn(C[C@@H]2CCCCO2)c1)c1ccccc1
InChIInChI=1S/C19H25N3O2/c1-2-18(15-8-4-3-5-9-15)19(23)21-16-12-20-22(13-16)14-17-10-6-7-11-24-17/h3-5,8-9,12-13,17-18H,2,6-7,10-11,14H2,1H3,(H,21,23)/t17-,18-/m0/s1
InChIKeyVPEGYEWEHFJLAG-ROUUACIJSA-N
XLogP3.58
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-2-phenylbutanamide with MolForge

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Related Compounds

2-bromo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide
CID 107903884
1-(2-methyl-1-phenylpropyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 87038237
1-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-3-propan-2-ylurea
CID 121145347
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-4-oxo-4-phenylbutanamide
CID 121016948
3-(ethylamino)-2-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide
CID 62851309
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]pentanamide
CID 121145145
2-(2-chlorophenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 121016977
2-bromo-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]benzamide
CID 129354375
2-(N-ethylanilino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 47070427
N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]-2-pyrazol-1-ylacetamide
CID 129355488
2-amino-3,3-dimethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide
CID 76887991
N-[(2-methylphenyl)methyl]-N'-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]oxamide
CID 96539643

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-2-phenylbutanamide?
The IUPAC name of (2S)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-2-phenylbutanamide (CID 129354476) is (2S)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-2-phenylbutanamide.
What is the SMILES notation for (2S)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-2-phenylbutanamide?
The canonical SMILES for (2S)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-2-phenylbutanamide is CC[C@H](C(=O)Nc1cnn(C[C@@H]2CCCCO2)c1)c1ccccc1.
What is the InChIKey of (2S)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-2-phenylbutanamide?
The InChIKey is VPEGYEWEHFJLAG-ROUUACIJSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-2-18(15-8-4-3-5-9-15)19(23)21-16-12-20-22(13-16)14-17-10-6-7-11-24-17/h3-5,8-9,12-13,17-18H,2,6-7,10-11,14H2,1H3,(H,21,23)/t17-,18-/m0/s1.
What are the key properties of (2S)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-2-phenylbutanamide?
(2S)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-2-phenylbutanamide has a molecular weight of 327.43 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-2-phenylbutanamide is sourced from PubChem (CID 129354476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).