3-(1-methyl-3-phenylpyrazol-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide

C18H23N3O2 — CID 95065889

IUPAC3-(1-methyl-3-phenylpyrazol-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
SMILESCn1cc(CCC(=O)NC[C@@H]2CCCO2)c(-c2ccccc2)n1
InChIInChI=1S/C18H23N3O2/c1-21-13-15(18(20-21)14-6-3-2-4-7-14)9-10-17(22)19-12-16-8-5-11-23-16/h2-4,6-7,13,16H,5,8-12H2,1H3,(H,19,22)/t16-/m0/s1
InChIKeyZEBNTUHPFKJPLR-INIZCTEOSA-N
MW313.40 g/mol
LogP2.31
Rot. Bonds6

About 3-(1-methyl-3-phenylpyrazol-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide

3-(1-methyl-3-phenylpyrazol-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide (PubChem CID 95065889) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-(1-methyl-3-phenylpyrazol-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(1-methyl-3-phenylpyrazol-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
PubChem CID95065889
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name3-(1-methyl-3-phenylpyrazol-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
SMILESCn1cc(CCC(=O)NC[C@@H]2CCCO2)c(-c2ccccc2)n1
InChIInChI=1S/C18H23N3O2/c1-21-13-15(18(20-21)14-6-3-2-4-7-14)9-10-17(22)19-12-16-8-5-11-23-16/h2-4,6-7,13,16H,5,8-12H2,1H3,(H,19,22)/t16-/m0/s1
InChIKeyZEBNTUHPFKJPLR-INIZCTEOSA-N
XLogP2.31
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-3-(1-methyl-3-phenylpyrazol-4-yl)propanamide
CID 53033030
N-[[(2S)-oxolan-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 30822933
1-(1-methyl-4-phenylpyrazol-3-yl)-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 124853722
N-[[(2R)-oxolan-2-yl]methyl]-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide
CID 27376986
N-[[(2S)-oxolan-2-yl]methyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 51373175
3-(1,5-dimethylpyrazol-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 35763072
N-(oxolan-2-ylmethyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884409
(E)-3-(1-benzyl-3-phenylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 43016025
3-(4-benzylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 109015843
N'-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenylethyl)butanediamide
CID 7303399
N-(oxolan-2-ylmethyl)-3-(1-phenylethylamino)propanamide
CID 109015820
2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 8019525

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-3-phenylpyrazol-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The IUPAC name of 3-(1-methyl-3-phenylpyrazol-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide (CID 95065889) is 3-(1-methyl-3-phenylpyrazol-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide.
What is the SMILES notation for 3-(1-methyl-3-phenylpyrazol-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The canonical SMILES for 3-(1-methyl-3-phenylpyrazol-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide is Cn1cc(CCC(=O)NC[C@@H]2CCCO2)c(-c2ccccc2)n1.
What is the InChIKey of 3-(1-methyl-3-phenylpyrazol-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The InChIKey is ZEBNTUHPFKJPLR-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-21-13-15(18(20-21)14-6-3-2-4-7-14)9-10-17(22)19-12-16-8-5-11-23-16/h2-4,6-7,13,16H,5,8-12H2,1H3,(H,19,22)/t16-/m0/s1.
What are the key properties of 3-(1-methyl-3-phenylpyrazol-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
3-(1-methyl-3-phenylpyrazol-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide has a molecular weight of 313.40 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-3-phenylpyrazol-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 95065889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).