3-(3,5-dimethylpyrazol-1-yl)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one

C17H28N4O2 — CID 95759341

IUPAC3-(3,5-dimethylpyrazol-1-yl)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one
SMILESCc1cc(C)n(CCC(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)n1
InChIInChI=1S/C17H28N4O2/c1-13-12-14(2)21(18-13)7-6-17(23)20-10-8-19(9-11-20)15-4-3-5-16(15)22/h12,15-16,22H,3-11H2,1-2H3/t15-,16+/m0/s1
InChIKeyGLZSMOJQNJHFJO-JKSUJKDBSA-N
MW320.44 g/mol
LogP0.95
Rot. Bonds4

About 3-(3,5-dimethylpyrazol-1-yl)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one

3-(3,5-dimethylpyrazol-1-yl)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one (PubChem CID 95759341) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one
PubChem CID95759341
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one
SMILESCc1cc(C)n(CCC(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)n1
InChIInChI=1S/C17H28N4O2/c1-13-12-14(2)21(18-13)7-6-17(23)20-10-8-19(9-11-20)15-4-3-5-16(15)22/h12,15-16,22H,3-11H2,1-2H3/t15-,16+/m0/s1
InChIKeyGLZSMOJQNJHFJO-JKSUJKDBSA-N
XLogP0.95
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,5-dimethylpyrazol-1-yl)-1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one
CID 95759339
3-(3,5-dimethylpyrazol-1-yl)-1-[4-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 54878873
2-[1-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperidin-4-yl]acetic acid
CID 79612728
1-[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one
CID 72870637
4-(3,5-dimethylpyrazol-1-yl)-1-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]butan-1-one
CID 110108127
3-(3,5-dimethylpyrazol-1-yl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propan-1-one
CID 115775184
1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 96500760
3-(3,5-dimethylpyrazol-1-yl)-1-[3-(1-hydroxycyclopropyl)piperidin-1-yl]propan-1-one
CID 138381261
3-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 66262558
4-(3,5-dimethylpyrazol-1-yl)-1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]butan-1-one
CID 110156857
3-(3,5-dimethylpyrazol-1-yl)-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 2981929
6-[4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-1,4-diazepan-1-yl]-1,3-dimethylpyrimidine-2,4-dione
CID 50825606

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one (CID 95759341) is 3-(3,5-dimethylpyrazol-1-yl)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one is Cc1cc(C)n(CCC(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one?
The InChIKey is GLZSMOJQNJHFJO-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-13-12-14(2)21(18-13)7-6-17(23)20-10-8-19(9-11-20)15-4-3-5-16(15)22/h12,15-16,22H,3-11H2,1-2H3/t15-,16+/m0/s1.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one?
3-(3,5-dimethylpyrazol-1-yl)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one has a molecular weight of 320.44 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 95759341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).