2-chloro-N'-[4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanimidamide

C14H17ClN4O — CID 169367117

IUPAC2-chloro-N'-[4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanimidamide
SMILESCCn1cc(COc2ccc(/N=C(/N)CCl)cc2)cn1
InChIInChI=1S/C14H17ClN4O/c1-2-19-9-11(8-17-19)10-20-13-5-3-12(4-6-13)18-14(16)7-15/h3-6,8-9H,2,7,10H2,1H3,(H2,16,18)
InChIKeyAHGNNUOOGHPNGJ-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.71
Rot. Bonds6

About 2-chloro-N'-[4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanimidamide

2-chloro-N'-[4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanimidamide (PubChem CID 169367117) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 2-chloro-N'-[4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-[4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanimidamide
PubChem CID169367117
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name2-chloro-N'-[4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanimidamide
SMILESCCn1cc(COc2ccc(/N=C(/N)CCl)cc2)cn1
InChIInChI=1S/C14H17ClN4O/c1-2-19-9-11(8-17-19)10-20-13-5-3-12(4-6-13)18-14(16)7-15/h3-6,8-9H,2,7,10H2,1H3,(H2,16,18)
InChIKeyAHGNNUOOGHPNGJ-UHFFFAOYSA-N
XLogP2.71
TPSA65.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-[(4-chlorophenoxy)methyl]-1-ethylpyrazole
CID 64764542
2-chloro-N'-[4-[(4-methylphenyl)methoxy]phenyl]ethanimidamide
CID 169368212
2-chloro-N'-[4-[(4-fluorophenyl)methoxy]phenyl]ethanimidamide
CID 169368086
1-ethyl-4-[(1-ethylpyrazol-4-yl)methoxy]pyrazole
CID 116804612
2-chloro-4-[(1-ethylpyrazol-4-yl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 102724414
[5-[(1-ethylpyrazol-4-yl)methoxy]-2-pyridinyl]methanol
CID 79799636
4-[[3-(chloromethyl)phenoxy]methyl]-1-ethylpyrazole
CID 62127453
[2-chloro-4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]methanamine
CID 102723760
3-[(1-ethylpyrazol-4-yl)methoxy]-5-methylphenol
CID 107679822
3-[(1-ethylpyrazol-4-yl)methoxy]-4-methylbenzenecarbothioamide
CID 107656268
[3-[(1-ethylpyrazol-4-yl)methoxy]phenyl]methanol
CID 62127102
N-[[4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 63063064

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanimidamide?
The IUPAC name of 2-chloro-N'-[4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanimidamide (CID 169367117) is 2-chloro-N'-[4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanimidamide.
What is the SMILES notation for 2-chloro-N'-[4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanimidamide?
The canonical SMILES for 2-chloro-N'-[4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanimidamide is CCn1cc(COc2ccc(/N=C(/N)CCl)cc2)cn1.
What is the InChIKey of 2-chloro-N'-[4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanimidamide?
The InChIKey is AHGNNUOOGHPNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-2-19-9-11(8-17-19)10-20-13-5-3-12(4-6-13)18-14(16)7-15/h3-6,8-9H,2,7,10H2,1H3,(H2,16,18).
What are the key properties of 2-chloro-N'-[4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanimidamide?
2-chloro-N'-[4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanimidamide has a molecular weight of 292.77 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanimidamide is sourced from PubChem (CID 169367117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).