2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-pyrrolidin-1-ylethanone

C11H17N3O — CID 60656289

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-pyrrolidin-1-ylethanone
SMILESCc1n[nH]c(C)c1CC(=O)N1CCCC1
InChIInChI=1S/C11H17N3O/c1-8-10(9(2)13-12-8)7-11(15)14-5-3-4-6-14/h3-7H2,1-2H3,(H,12,13)
InChIKeyXFUUFCONWJQVTJ-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.19
Rot. Bonds2

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-pyrrolidin-1-ylethanone

2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-pyrrolidin-1-ylethanone (PubChem CID 60656289) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-pyrrolidin-1-ylethanone
PubChem CID60656289
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-pyrrolidin-1-ylethanone
SMILESCc1n[nH]c(C)c1CC(=O)N1CCCC1
InChIInChI=1S/C11H17N3O/c1-8-10(9(2)13-12-8)7-11(15)14-5-3-4-6-14/h3-7H2,1-2H3,(H,12,13)
InChIKeyXFUUFCONWJQVTJ-UHFFFAOYSA-N
XLogP1.19
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-[(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane
CID 56742112
11-[(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane
CID 56754333
2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 70718457
5-(cyclobutylmethyl)-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide
CID 97389037
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 20950848
7-(2,2-dimethylpropyl)-2-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-2,7-diazaspiro[4.5]decane
CID 56912204
2-azocan-1-yl-1-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethanamine
CID 70758046
1-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxo-2-[4-(3-pyrrolidin-1-ylpropyl)-1,4-diazepan-1-yl]ethanamine
CID 72918107
1-({1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-4-piperidinyl}methyl)-2-pyrrolidinone
CID 70767195
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-ethyl-4-methylpyrrolidin-1-yl)-2-methylpropan-1-one
CID 71866632
(3R*,4S*)-1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-4-isopropyl-N,N-dimethyl-3-pyrrolidinamine
CID 72838660
(3R*,4S*)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-isopropyl-N,N-dimethyl-3-pyrrolidinamine
CID 72937669

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-pyrrolidin-1-ylethanone (CID 60656289) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-pyrrolidin-1-ylethanone is Cc1n[nH]c(C)c1CC(=O)N1CCCC1.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-pyrrolidin-1-ylethanone?
The InChIKey is XFUUFCONWJQVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-10(9(2)13-12-8)7-11(15)14-5-3-4-6-14/h3-7H2,1-2H3,(H,12,13).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-pyrrolidin-1-ylethanone?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-pyrrolidin-1-ylethanone has a molecular weight of 207.28 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 60656289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).