3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-methylpropan-1-one

C16H27N3O2 — CID 84594669

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
SMILESCc1n[nH]c(C)c1CC(C)C(=O)N1CCCC1C(C)(C)O
InChIInChI=1S/C16H27N3O2/c1-10(9-13-11(2)17-18-12(13)3)15(20)19-8-6-7-14(19)16(4,5)21/h10,14,21H,6-9H2,1-5H3,(H,17,18)
InChIKeyNWGXZNPCGCORDU-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.97
Rot. Bonds4

About 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-methylpropan-1-one

3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-methylpropan-1-one (PubChem CID 84594669) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
PubChem CID84594669
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
SMILESCc1n[nH]c(C)c1CC(C)C(=O)N1CCCC1C(C)(C)O
InChIInChI=1S/C16H27N3O2/c1-10(9-13-11(2)17-18-12(13)3)15(20)19-8-6-7-14(19)16(4,5)21/h10,14,21H,6-9H2,1-5H3,(H,17,18)
InChIKeyNWGXZNPCGCORDU-UHFFFAOYSA-N
XLogP1.97
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]propan-1-one
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3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propan-1-one
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{(3R*,4R*)-4-{[(2R*,6S*)-2,6-dimethylmorpholin-4-yl]methyl}-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]pyrrolidin-3-yl}methanol
CID 70776655
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-ethyl-4-methylpyrrolidin-1-yl)-2-methylpropan-1-one
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(3R*,4S*)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-isopropyl-N,N-dimethyl-3-pyrrolidinamine
CID 72937669
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CID 109906205
1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-2,2-difluoro-2-(1-hydroxycyclobutyl)ethanone
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1-[3-[(2S)-4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-one
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CID 50948271

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-methylpropan-1-one (CID 84594669) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-methylpropan-1-one is Cc1n[nH]c(C)c1CC(C)C(=O)N1CCCC1C(C)(C)O.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-methylpropan-1-one?
The InChIKey is NWGXZNPCGCORDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-10(9-13-11(2)17-18-12(13)3)15(20)19-8-6-7-14(19)16(4,5)21/h10,14,21H,6-9H2,1-5H3,(H,17,18).
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-methylpropan-1-one?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-methylpropan-1-one has a molecular weight of 293.41 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 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-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 84594669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).