3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2S)-2-propanoylpiperidin-1-yl]propan-1-one

C16H25N3O2 — CID 99822754

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2S)-2-propanoylpiperidin-1-yl]propan-1-one
SMILESCCC(=O)[C@@H]1CCCCN1C(=O)CCc1c(C)n[nH]c1C
InChIInChI=1S/C16H25N3O2/c1-4-15(20)14-7-5-6-10-19(14)16(21)9-8-13-11(2)17-18-12(13)3/h14H,4-10H2,1-3H3,(H,17,18)/t14-/m0/s1
InChIKeyRZJULEADQHRGKU-AWEZNQCLSA-N
MW291.39 g/mol
LogP2.32
Rot. Bonds5

About 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2S)-2-propanoylpiperidin-1-yl]propan-1-one

3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2S)-2-propanoylpiperidin-1-yl]propan-1-one (PubChem CID 99822754) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2S)-2-propanoylpiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2S)-2-propanoylpiperidin-1-yl]propan-1-one
PubChem CID99822754
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2S)-2-propanoylpiperidin-1-yl]propan-1-one
SMILESCCC(=O)[C@@H]1CCCCN1C(=O)CCc1c(C)n[nH]c1C
InChIInChI=1S/C16H25N3O2/c1-4-15(20)14-7-5-6-10-19(14)16(21)9-8-13-11(2)17-18-12(13)3/h14H,4-10H2,1-3H3,(H,17,18)/t14-/m0/s1
InChIKeyRZJULEADQHRGKU-AWEZNQCLSA-N
XLogP2.32
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2S)-2-propanoylpiperidin-1-yl]propan-1-one?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2S)-2-propanoylpiperidin-1-yl]propan-1-one (CID 99822754) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2S)-2-propanoylpiperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2S)-2-propanoylpiperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2S)-2-propanoylpiperidin-1-yl]propan-1-one is CCC(=O)[C@@H]1CCCCN1C(=O)CCc1c(C)n[nH]c1C.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2S)-2-propanoylpiperidin-1-yl]propan-1-one?
The InChIKey is RZJULEADQHRGKU-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-15(20)14-7-5-6-10-19(14)16(21)9-8-13-11(2)17-18-12(13)3/h14H,4-10H2,1-3H3,(H,17,18)/t14-/m0/s1.
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2S)-2-propanoylpiperidin-1-yl]propan-1-one?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2S)-2-propanoylpiperidin-1-yl]propan-1-one has a molecular weight of 291.39 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2S)-2-propanoylpiperidin-1-yl]propan-1-one is sourced from PubChem (CID 99822754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).