N-[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylidene]hydroxylamine

C16H20N4O — CID 781091

IUPACN-[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylidene]hydroxylamine
SMILESCc1nn(-c2ccccc2)c(N2CCCCC2)c1C=NO
InChIInChI=1S/C16H20N4O/c1-13-15(12-17-21)16(19-10-6-3-7-11-19)20(18-13)14-8-4-2-5-9-14/h2,4-5,8-9,12,21H,3,6-7,10-11H2,1H3
InChIKeyAHEKVNKLJMHRES-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.98
Rot. Bonds3

About N-[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylidene]hydroxylamine

N-[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylidene]hydroxylamine (PubChem CID 781091) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylidene]hydroxylamine
PubChem CID781091
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylidene]hydroxylamine
SMILESCc1nn(-c2ccccc2)c(N2CCCCC2)c1C=NO
InChIInChI=1S/C16H20N4O/c1-13-15(12-17-21)16(19-10-6-3-7-11-19)20(18-13)14-8-4-2-5-9-14/h2,4-5,8-9,12,21H,3,6-7,10-11H2,1H3
InChIKeyAHEKVNKLJMHRES-UHFFFAOYSA-N
XLogP2.98
TPSA53.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.98
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

[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylideneamino]thiourea
CID 4089778
methyl N-[(Z)-(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methylideneamino]carbamate
CID 9291809
4,6-dimethyl-N-[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylideneamino]pyrimidin-2-amine
CID 4102946
4,6-dimethyl-N-[(Z)-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylideneamino]pyrimidin-2-amine
CID 6010547
(NE)-N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydroxylamine
CID 6483733
N-[(Z)-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylideneamino]adamantane-1-carboxamide
CID 6042470
(3S)-N-[(Z)-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 30449403
1-[(E)-(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methylideneamino]-3-[2-(trifluoromethyl)phenyl]thiourea
CID 6905031
N-[(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide
CID 5035048
N-[(E)-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylideneamino]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 162395850
ethyl 2-cyano-3-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)prop-2-enoate
CID 3585965
N-[[5-(2-chlorophenyl)sulfanyl-3-methyl-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
CID 141088217

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylidene]hydroxylamine?
The IUPAC name of N-[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylidene]hydroxylamine (CID 781091) is N-[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylidene]hydroxylamine?
The canonical SMILES for N-[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylidene]hydroxylamine is Cc1nn(-c2ccccc2)c(N2CCCCC2)c1C=NO.
What is the InChIKey of N-[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylidene]hydroxylamine?
The InChIKey is AHEKVNKLJMHRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-13-15(12-17-21)16(19-10-6-3-7-11-19)20(18-13)14-8-4-2-5-9-14/h2,4-5,8-9,12,21H,3,6-7,10-11H2,1H3.
What are the key properties of N-[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylidene]hydroxylamine?
N-[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylidene]hydroxylamine has a molecular weight of 284.36 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylidene]hydroxylamine is sourced from PubChem (CID 781091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).