2-methyl-1-(1-propylpyrazol-4-yl)-2-pyrrolidin-1-ylbutan-1-one

C15H25N3O — CID 79069238

IUPAC2-methyl-1-(1-propylpyrazol-4-yl)-2-pyrrolidin-1-ylbutan-1-one
SMILESCCCn1cc(C(=O)C(C)(CC)N2CCCC2)cn1
InChIInChI=1S/C15H25N3O/c1-4-8-18-12-13(11-16-18)14(19)15(3,5-2)17-9-6-7-10-17/h11-12H,4-10H2,1-3H3
InChIKeyWZOJRFFLEVDPFG-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.74
Rot. Bonds6

About 2-methyl-1-(1-propylpyrazol-4-yl)-2-pyrrolidin-1-ylbutan-1-one

2-methyl-1-(1-propylpyrazol-4-yl)-2-pyrrolidin-1-ylbutan-1-one (PubChem CID 79069238) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-methyl-1-(1-propylpyrazol-4-yl)-2-pyrrolidin-1-ylbutan-1-one.

Molecular Properties

Compound Name2-methyl-1-(1-propylpyrazol-4-yl)-2-pyrrolidin-1-ylbutan-1-one
PubChem CID79069238
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-methyl-1-(1-propylpyrazol-4-yl)-2-pyrrolidin-1-ylbutan-1-one
SMILESCCCn1cc(C(=O)C(C)(CC)N2CCCC2)cn1
InChIInChI=1S/C15H25N3O/c1-4-8-18-12-13(11-16-18)14(19)15(3,5-2)17-9-6-7-10-17/h11-12H,4-10H2,1-3H3
InChIKeyWZOJRFFLEVDPFG-UHFFFAOYSA-N
XLogP2.74
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-(1-propylpyrazol-4-yl)-2-pyrrolidin-1-ylpropan-1-one
CID 79055851
2-(azepan-1-yl)-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-one
CID 79052724
2-methyl-2-piperidin-1-yl-1-(2-propylpyrazol-3-yl)butan-1-one
CID 79065501
2-amino-3,3,3-trifluoro-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-one
CID 116592872
2-(diethylamino)-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-one
CID 79054130
2-(dimethylamino)-2-ethyl-1-(1-propylpyrazol-4-yl)butan-1-one
CID 79060967
2-methyl-2-piperidin-1-yl-1-(4-propylphenyl)butan-1-one
CID 79059853
2-methyl-2-piperidin-1-yl-1-thiophen-3-ylbutan-1-one
CID 79065877
1-(4-ethoxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one
CID 79069392
2-methyl-2-[methyl-(1-propylpyrazole-4-carbonyl)amino]propanoic acid
CID 120518820
1-(4-bromo-1-ethylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one
CID 114641152
3-ethyl-3-[(1-propylpyrazole-4-carbonyl)amino]pentanoic acid
CID 120532589

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-propylpyrazol-4-yl)-2-pyrrolidin-1-ylbutan-1-one?
The IUPAC name of 2-methyl-1-(1-propylpyrazol-4-yl)-2-pyrrolidin-1-ylbutan-1-one (CID 79069238) is 2-methyl-1-(1-propylpyrazol-4-yl)-2-pyrrolidin-1-ylbutan-1-one.
What is the SMILES notation for 2-methyl-1-(1-propylpyrazol-4-yl)-2-pyrrolidin-1-ylbutan-1-one?
The canonical SMILES for 2-methyl-1-(1-propylpyrazol-4-yl)-2-pyrrolidin-1-ylbutan-1-one is CCCn1cc(C(=O)C(C)(CC)N2CCCC2)cn1.
What is the InChIKey of 2-methyl-1-(1-propylpyrazol-4-yl)-2-pyrrolidin-1-ylbutan-1-one?
The InChIKey is WZOJRFFLEVDPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-8-18-12-13(11-16-18)14(19)15(3,5-2)17-9-6-7-10-17/h11-12H,4-10H2,1-3H3.
What are the key properties of 2-methyl-1-(1-propylpyrazol-4-yl)-2-pyrrolidin-1-ylbutan-1-one?
2-methyl-1-(1-propylpyrazol-4-yl)-2-pyrrolidin-1-ylbutan-1-one has a molecular weight of 263.38 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-propylpyrazol-4-yl)-2-pyrrolidin-1-ylbutan-1-one is sourced from PubChem (CID 79069238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).