N-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]cyclobutanecarboxamide

C17H27ClN4O — CID 56752519

IUPACN-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]cyclobutanecarboxamide
SMILESCCc1nn(C)c(Cl)c1CN1CCC(CNC(=O)C2CCC2)C1
InChIInChI=1S/C17H27ClN4O/c1-3-15-14(16(18)21(2)20-15)11-22-8-7-12(10-22)9-19-17(23)13-5-4-6-13/h12-13H,3-11H2,1-2H3,(H,19,23)
InChIKeyGZHTZLFEUAFVBM-UHFFFAOYSA-N
MW338.88 g/mol
LogP2.37
Rot. Bonds6

About N-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]cyclobutanecarboxamide

N-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]cyclobutanecarboxamide (PubChem CID 56752519) has the molecular formula C17H27ClN4O and a molecular weight of 338.88 g/mol. Its IUPAC name is N-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]cyclobutanecarboxamide
PubChem CID56752519
Molecular FormulaC17H27ClN4O
Molecular Weight338.88 g/mol
Exact Mass338.19
IUPAC NameN-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]cyclobutanecarboxamide
SMILESCCc1nn(C)c(Cl)c1CN1CCC(CNC(=O)C2CCC2)C1
InChIInChI=1S/C17H27ClN4O/c1-3-15-14(16(18)21(2)20-15)11-22-8-7-12(10-22)9-19-17(23)13-5-4-6-13/h12-13H,3-11H2,1-2H3,(H,19,23)
InChIKeyGZHTZLFEUAFVBM-UHFFFAOYSA-N
XLogP2.37
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-3-methylbut-2-enamide
CID 95230004
(3S,4S)-1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-4-(hydroxymethyl)piperidin-3-ol
CID 133125735
(3R,4S)-1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-4-hydroxypiperidine-3-carboxylic acid;formic acid
CID 166599010
2-[4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide
CID 86895360
N-[[(3S)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide
CID 95208543
N-[[1-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide
CID 56715514
N-[[(3R)-1-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide
CID 95211408
(9aS)-2-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 56752186
3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119854746
N-[[1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide
CID 56749033
5-chloro-4-[(3-ethylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrazole
CID 115688533
5-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-4-chloro-3-ethyl-1-methylpyrazole
CID 80690615

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]cyclobutanecarboxamide (CID 56752519) is N-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]cyclobutanecarboxamide is CCc1nn(C)c(Cl)c1CN1CCC(CNC(=O)C2CCC2)C1.
What is the InChIKey of N-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]cyclobutanecarboxamide?
The InChIKey is GZHTZLFEUAFVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN4O/c1-3-15-14(16(18)21(2)20-15)11-22-8-7-12(10-22)9-19-17(23)13-5-4-6-13/h12-13H,3-11H2,1-2H3,(H,19,23).
What are the key properties of N-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]cyclobutanecarboxamide?
N-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]cyclobutanecarboxamide has a molecular weight of 338.88 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 56752519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).