(NZ)-N-[1-[4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]propan-2-ylidene]hydroxylamine

C15H19N3O2 — CID 115495504

IUPAC(NZ)-N-[1-[4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
SMILESC/C(Cc1ccc(OCc2cc(C)nn2C)cc1)=N/O
InChIInChI=1S/C15H19N3O2/c1-11-9-14(18(3)16-11)10-20-15-6-4-13(5-7-15)8-12(2)17-19/h4-7,9,19H,8,10H2,1-3H3/b17-12-
InChIKeyJKXVDLVIDRBMQO-ATVHPVEESA-N
MW273.34 g/mol
LogP2.70
Rot. Bonds5

About (NZ)-N-[1-[4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]propan-2-ylidene]hydroxylamine

(NZ)-N-[1-[4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]propan-2-ylidene]hydroxylamine (PubChem CID 115495504) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is (NZ)-N-[1-[4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]propan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-[4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
PubChem CID115495504
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name(NZ)-N-[1-[4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
SMILESC/C(Cc1ccc(OCc2cc(C)nn2C)cc1)=N/O
InChIInChI=1S/C15H19N3O2/c1-11-9-14(18(3)16-11)10-20-15-6-4-13(5-7-15)8-12(2)17-19/h4-7,9,19H,8,10H2,1-3H3/b17-12-
InChIKeyJKXVDLVIDRBMQO-ATVHPVEESA-N
XLogP2.70
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

(NZ)-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
CID 115495632
N-[1-(4-phenylmethoxyphenyl)propan-2-ylidene]hydroxylamine
CID 88750073
(NZ)-N-[1-(4-phenylmethoxyphenyl)propan-2-ylidene]hydroxylamine
CID 79015794
(NZ)-N-[1-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
CID 115495508
[2-chloro-4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 102723852
(NZ)-N-[1-[4-[(2,6-difluorophenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
CID 114930385
(NE)-N-[1-[4-[(2-methoxyphenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
CID 115495642
[4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-fluorophenyl]methanol
CID 107690650
(1R)-1-[3-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]ethanol
CID 79025674
(NE)-N-[1-[4-[(2-methoxy-3-pyridinyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
CID 115495621
3-[4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]-3-ethoxypropanoic acid
CID 122185442
3-[(2,5-dimethylpyrazol-3-yl)methoxy]-5-methoxybenzonitrile
CID 103566808

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-[4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]propan-2-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-[4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]propan-2-ylidene]hydroxylamine (CID 115495504) is (NZ)-N-[1-[4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]propan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-[4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]propan-2-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-[4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]propan-2-ylidene]hydroxylamine is C/C(Cc1ccc(OCc2cc(C)nn2C)cc1)=N/O.
What is the InChIKey of (NZ)-N-[1-[4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]propan-2-ylidene]hydroxylamine?
The InChIKey is JKXVDLVIDRBMQO-ATVHPVEESA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11-9-14(18(3)16-11)10-20-15-6-4-13(5-7-15)8-12(2)17-19/h4-7,9,19H,8,10H2,1-3H3/b17-12-.
What are the key properties of (NZ)-N-[1-[4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]propan-2-ylidene]hydroxylamine?
(NZ)-N-[1-[4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]propan-2-ylidene]hydroxylamine has a molecular weight of 273.34 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-[4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]propan-2-ylidene]hydroxylamine is sourced from PubChem (CID 115495504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).