N-[(2S)-4-(4-propan-2-yloxyphenyl)butan-2-yl]-2-pyrazol-1-ylacetamide

C18H25N3O2 — CID 94797701

IUPACN-[(2S)-4-(4-propan-2-yloxyphenyl)butan-2-yl]-2-pyrazol-1-ylacetamide
SMILESCC(C)Oc1ccc(CC[C@H](C)NC(=O)Cn2cccn2)cc1
InChIInChI=1S/C18H25N3O2/c1-14(2)23-17-9-7-16(8-10-17)6-5-15(3)20-18(22)13-21-12-4-11-19-21/h4,7-12,14-15H,5-6,13H2,1-3H3,(H,20,22)/t15-/m0/s1
InChIKeyWAALPVLNDXAODI-HNNXBMFYSA-N
MW315.42 g/mol
LogP2.81
Rot. Bonds8

About N-[(2S)-4-(4-propan-2-yloxyphenyl)butan-2-yl]-2-pyrazol-1-ylacetamide

N-[(2S)-4-(4-propan-2-yloxyphenyl)butan-2-yl]-2-pyrazol-1-ylacetamide (PubChem CID 94797701) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[(2S)-4-(4-propan-2-yloxyphenyl)butan-2-yl]-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-[(2S)-4-(4-propan-2-yloxyphenyl)butan-2-yl]-2-pyrazol-1-ylacetamide
PubChem CID94797701
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[(2S)-4-(4-propan-2-yloxyphenyl)butan-2-yl]-2-pyrazol-1-ylacetamide
SMILESCC(C)Oc1ccc(CC[C@H](C)NC(=O)Cn2cccn2)cc1
InChIInChI=1S/C18H25N3O2/c1-14(2)23-17-9-7-16(8-10-17)6-5-15(3)20-18(22)13-21-12-4-11-19-21/h4,7-12,14-15H,5-6,13H2,1-3H3,(H,20,22)/t15-/m0/s1
InChIKeyWAALPVLNDXAODI-HNNXBMFYSA-N
XLogP2.81
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]acetamide
CID 119720978
2-(4-oxoquinazolin-3-yl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]acetamide
CID 60533590
2-(4-aminopyrazol-1-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 61113208
N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 167764145
1-[[2-(4-fluorophenyl)acetyl]amino]-3-[4-(4-propan-2-yloxyphenyl)butan-2-yl]urea
CID 60543893
2-bromo-N-[(2S)-4-(4-propan-2-yloxyphenyl)butan-2-yl]pyridine-3-carboxamide
CID 97223647
N-[(2S)-4-phenylbutan-2-yl]-4-propan-2-yloxybenzamide
CID 1263174
3-(4-fluorophenyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]propanamide
CID 38610317
4-[4-(4-propan-2-yloxyphenyl)butan-2-ylcarbamoyl]pyridine-2-carboxylic acid
CID 119180775
N-propan-2-yl-3-(4-propan-2-yloxyphenyl)propanamide
CID 170371171
3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]propanamide
CID 55958566
N-(1-hydroxy-4-methylpentan-3-yl)-2-pyrazol-1-ylacetamide
CID 103782364

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-(4-propan-2-yloxyphenyl)butan-2-yl]-2-pyrazol-1-ylacetamide?
The IUPAC name of N-[(2S)-4-(4-propan-2-yloxyphenyl)butan-2-yl]-2-pyrazol-1-ylacetamide (CID 94797701) is N-[(2S)-4-(4-propan-2-yloxyphenyl)butan-2-yl]-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-[(2S)-4-(4-propan-2-yloxyphenyl)butan-2-yl]-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-[(2S)-4-(4-propan-2-yloxyphenyl)butan-2-yl]-2-pyrazol-1-ylacetamide is CC(C)Oc1ccc(CC[C@H](C)NC(=O)Cn2cccn2)cc1.
What is the InChIKey of N-[(2S)-4-(4-propan-2-yloxyphenyl)butan-2-yl]-2-pyrazol-1-ylacetamide?
The InChIKey is WAALPVLNDXAODI-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-14(2)23-17-9-7-16(8-10-17)6-5-15(3)20-18(22)13-21-12-4-11-19-21/h4,7-12,14-15H,5-6,13H2,1-3H3,(H,20,22)/t15-/m0/s1.
What are the key properties of N-[(2S)-4-(4-propan-2-yloxyphenyl)butan-2-yl]-2-pyrazol-1-ylacetamide?
N-[(2S)-4-(4-propan-2-yloxyphenyl)butan-2-yl]-2-pyrazol-1-ylacetamide has a molecular weight of 315.42 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-(4-propan-2-yloxyphenyl)butan-2-yl]-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 94797701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).