1-[(1-ethylpyrazol-4-yl)methyl]-N'-hydroxypiperidine-2-carboximidamide

C12H21N5O — CID 77036051

IUPAC1-[(1-ethylpyrazol-4-yl)methyl]-N'-hydroxypiperidine-2-carboximidamide
SMILESCCn1cc(CN2CCCCC2C(N)=NO)cn1
InChIInChI=1S/C12H21N5O/c1-2-17-9-10(7-14-17)8-16-6-4-3-5-11(16)12(13)15-18/h7,9,11,18H,2-6,8H2,1H3,(H2,13,15)
InChIKeyNCECMQOTAPDGFF-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.00
Rot. Bonds4

About 1-[(1-ethylpyrazol-4-yl)methyl]-N'-hydroxypiperidine-2-carboximidamide

1-[(1-ethylpyrazol-4-yl)methyl]-N'-hydroxypiperidine-2-carboximidamide (PubChem CID 77036051) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[(1-ethylpyrazol-4-yl)methyl]-N'-hydroxypiperidine-2-carboximidamide.

Molecular Properties

Compound Name1-[(1-ethylpyrazol-4-yl)methyl]-N'-hydroxypiperidine-2-carboximidamide
PubChem CID77036051
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name1-[(1-ethylpyrazol-4-yl)methyl]-N'-hydroxypiperidine-2-carboximidamide
SMILESCCn1cc(CN2CCCCC2C(N)=NO)cn1
InChIInChI=1S/C12H21N5O/c1-2-17-9-10(7-14-17)8-16-6-4-3-5-11(16)12(13)15-18/h7,9,11,18H,2-6,8H2,1H3,(H2,13,15)
InChIKeyNCECMQOTAPDGFF-UHFFFAOYSA-N
XLogP1.00
TPSA79.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]methanol
CID 62128080
1-[1-[(1-ethylpyrazol-4-yl)methyl]azepan-2-yl]propan-2-ol
CID 114338918
1-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 62126735
tert-butyl (2R)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylate
CID 115537639
(2S)-2-(1,3-dioxolan-2-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine
CID 97158796
N'-hydroxy-1-(pyridin-3-ylmethyl)piperidine-2-carboximidamide
CID 77041710
1-[(5-bromo-3-pyridinyl)methyl]-N'-hydroxypiperidine-2-carboximidamide
CID 104797630
1-[(4-bromophenyl)methyl]-N'-hydroxypiperidine-2-carboximidamide
CID 77041916
1-[(3,4-dimethylphenyl)methyl]-N'-hydroxypiperidine-2-carboximidamide
CID 77041448
2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]cyclohexan-1-one
CID 79536816
1-[(3-chlorophenyl)methyl]-N'-hydroxypiperidine-2-carboximidamide
CID 77041337
1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]azepane-2-carboxylic acid
CID 65069711

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-N'-hydroxypiperidine-2-carboximidamide?
The IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-N'-hydroxypiperidine-2-carboximidamide (CID 77036051) is 1-[(1-ethylpyrazol-4-yl)methyl]-N'-hydroxypiperidine-2-carboximidamide.
What is the SMILES notation for 1-[(1-ethylpyrazol-4-yl)methyl]-N'-hydroxypiperidine-2-carboximidamide?
The canonical SMILES for 1-[(1-ethylpyrazol-4-yl)methyl]-N'-hydroxypiperidine-2-carboximidamide is CCn1cc(CN2CCCCC2C(N)=NO)cn1.
What is the InChIKey of 1-[(1-ethylpyrazol-4-yl)methyl]-N'-hydroxypiperidine-2-carboximidamide?
The InChIKey is NCECMQOTAPDGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-2-17-9-10(7-14-17)8-16-6-4-3-5-11(16)12(13)15-18/h7,9,11,18H,2-6,8H2,1H3,(H2,13,15).
What are the key properties of 1-[(1-ethylpyrazol-4-yl)methyl]-N'-hydroxypiperidine-2-carboximidamide?
1-[(1-ethylpyrazol-4-yl)methyl]-N'-hydroxypiperidine-2-carboximidamide has a molecular weight of 251.33 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrazol-4-yl)methyl]-N'-hydroxypiperidine-2-carboximidamide is sourced from PubChem (CID 77036051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).