3-(1-methylpyrazol-4-yl)-1-pyrrolidin-3-ylpropan-1-one

C11H17N3O — CID 103023696

IUPAC3-(1-methylpyrazol-4-yl)-1-pyrrolidin-3-ylpropan-1-one
SMILESCn1cc(CCC(=O)C2CCNC2)cn1
InChIInChI=1S/C11H17N3O/c1-14-8-9(6-13-14)2-3-11(15)10-4-5-12-7-10/h6,8,10,12H,2-5,7H2,1H3
InChIKeyYKIVVTIOURYMJA-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.53
Rot. Bonds4

About 3-(1-methylpyrazol-4-yl)-1-pyrrolidin-3-ylpropan-1-one

3-(1-methylpyrazol-4-yl)-1-pyrrolidin-3-ylpropan-1-one (PubChem CID 103023696) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-1-pyrrolidin-3-ylpropan-1-one.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-1-pyrrolidin-3-ylpropan-1-one
PubChem CID103023696
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-(1-methylpyrazol-4-yl)-1-pyrrolidin-3-ylpropan-1-one
SMILESCn1cc(CCC(=O)C2CCNC2)cn1
InChIInChI=1S/C11H17N3O/c1-14-8-9(6-13-14)2-3-11(15)10-4-5-12-7-10/h6,8,10,12H,2-5,7H2,1H3
InChIKeyYKIVVTIOURYMJA-UHFFFAOYSA-N
XLogP0.53
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cycloheptyl-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103007553
1-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 74237642
3-(1-methylpyrazol-4-yl)-N-piperidin-3-ylpropanamide;dihydrochloride
CID 119427806
N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carboxamide
CID 80682539
3-(1-methylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride
CID 119532209
3-(1-methylpyrazol-4-yl)-1-(1-piperidin-4-yltriazol-4-yl)propan-1-one
CID 103023689
1-methyl-4-(2-pyrrolidin-3-yloxyethyl)pyrazole
CID 103004028
1-cyclopropyl-1-hydroxy-4-(1-methylpyrazol-4-yl)butan-2-one
CID 103455845
4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-one
CID 62126204
3-(4-methylphenyl)-1-piperidin-3-ylpropan-1-one
CID 82289357
3-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119513351
3-(1-methylpyrazol-4-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)propanamide;hydrochloride
CID 120998386

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-1-pyrrolidin-3-ylpropan-1-one?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-1-pyrrolidin-3-ylpropan-1-one (CID 103023696) is 3-(1-methylpyrazol-4-yl)-1-pyrrolidin-3-ylpropan-1-one.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-1-pyrrolidin-3-ylpropan-1-one?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-1-pyrrolidin-3-ylpropan-1-one is Cn1cc(CCC(=O)C2CCNC2)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-1-pyrrolidin-3-ylpropan-1-one?
The InChIKey is YKIVVTIOURYMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-14-8-9(6-13-14)2-3-11(15)10-4-5-12-7-10/h6,8,10,12H,2-5,7H2,1H3.
What are the key properties of 3-(1-methylpyrazol-4-yl)-1-pyrrolidin-3-ylpropan-1-one?
3-(1-methylpyrazol-4-yl)-1-pyrrolidin-3-ylpropan-1-one has a molecular weight of 207.28 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-1-pyrrolidin-3-ylpropan-1-one is sourced from PubChem (CID 103023696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).