(3Z)-4-methyl-3-[methylamino(1H-pyrazol-4-yl)methylidene]pentan-2-one

C11H17N3O — CID 144700339

IUPAC(3Z)-4-methyl-3-[methylamino(1H-pyrazol-4-yl)methylidene]pentan-2-one
SMILESCN/C(=C(\C(C)=O)C(C)C)c1cn[nH]c1
InChIInChI=1S/C11H17N3O/c1-7(2)10(8(3)15)11(12-4)9-5-13-14-6-9/h5-7,12H,1-4H3,(H,13,14)/b11-10-
InChIKeyUZVFBBRAXHORFO-KHPPLWFESA-N
MW207.28 g/mol
LogP1.59
Rot. Bonds4

About (3Z)-4-methyl-3-[methylamino(1H-pyrazol-4-yl)methylidene]pentan-2-one

(3Z)-4-methyl-3-[methylamino(1H-pyrazol-4-yl)methylidene]pentan-2-one (PubChem CID 144700339) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is (3Z)-4-methyl-3-[methylamino(1H-pyrazol-4-yl)methylidene]pentan-2-one.

Molecular Properties

Compound Name(3Z)-4-methyl-3-[methylamino(1H-pyrazol-4-yl)methylidene]pentan-2-one
PubChem CID144700339
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name(3Z)-4-methyl-3-[methylamino(1H-pyrazol-4-yl)methylidene]pentan-2-one
SMILESCN/C(=C(\C(C)=O)C(C)C)c1cn[nH]c1
InChIInChI=1S/C11H17N3O/c1-7(2)10(8(3)15)11(12-4)9-5-13-14-6-9/h5-7,12H,1-4H3,(H,13,14)/b11-10-
InChIKeyUZVFBBRAXHORFO-KHPPLWFESA-N
XLogP1.59
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-propan-2-yl-1H-pyrazole-4-carboxamide
CID 20785130
N-methyl-1H-pyrazole-4-carboxamide;propane
CID 155700970
N-methyl-3-oxo-3-(1H-pyrazol-4-yl)propanamide
CID 22925181
2-methyl-3-oxo-3-(1H-pyrazol-4-yl)propanamide
CID 91099037
N-methyl-1-(1H-pyrazol-4-yl)ethenamine
CID 134288911
N-(3-aminobutyl)-1H-pyrazole-4-carboxamide
CID 63253393
N-[2-methyl-3-(methylamino)propyl]-1H-pyrazole-4-carboxamide
CID 115302661
1H-pyrazole-4-carboxamide;hydrochloride
CID 68722047
1H-pyrazole-4-carboxamide;trihydrochloride
CID 155658869
N-(2-cyanopropyl)-1H-pyrazole-4-carboxamide
CID 62651511
N-[4-[1-(methylamino)ethyl]phenyl]-1H-pyrazole-4-carboxamide
CID 63085076
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-4-carboxamide
CID 79252748

Frequently Asked Questions

What is the IUPAC name of (3Z)-4-methyl-3-[methylamino(1H-pyrazol-4-yl)methylidene]pentan-2-one?
The IUPAC name of (3Z)-4-methyl-3-[methylamino(1H-pyrazol-4-yl)methylidene]pentan-2-one (CID 144700339) is (3Z)-4-methyl-3-[methylamino(1H-pyrazol-4-yl)methylidene]pentan-2-one.
What is the SMILES notation for (3Z)-4-methyl-3-[methylamino(1H-pyrazol-4-yl)methylidene]pentan-2-one?
The canonical SMILES for (3Z)-4-methyl-3-[methylamino(1H-pyrazol-4-yl)methylidene]pentan-2-one is CN/C(=C(\C(C)=O)C(C)C)c1cn[nH]c1.
What is the InChIKey of (3Z)-4-methyl-3-[methylamino(1H-pyrazol-4-yl)methylidene]pentan-2-one?
The InChIKey is UZVFBBRAXHORFO-KHPPLWFESA-N. The full InChI is InChI=1S/C11H17N3O/c1-7(2)10(8(3)15)11(12-4)9-5-13-14-6-9/h5-7,12H,1-4H3,(H,13,14)/b11-10-.
What are the key properties of (3Z)-4-methyl-3-[methylamino(1H-pyrazol-4-yl)methylidene]pentan-2-one?
(3Z)-4-methyl-3-[methylamino(1H-pyrazol-4-yl)methylidene]pentan-2-one has a molecular weight of 207.28 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-methyl-3-[methylamino(1H-pyrazol-4-yl)methylidene]pentan-2-one is sourced from PubChem (CID 144700339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).