1-methyl-N-[4-[[1-(2-methylpropyl)aziridin-2-yl]methoxy]phenyl]pyrazole-4-carboxamide

C18H24N4O2 — CID 154881275

IUPAC1-methyl-N-[4-[[1-(2-methylpropyl)aziridin-2-yl]methoxy]phenyl]pyrazole-4-carboxamide
SMILESCC(C)CN1CC1COc1ccc(NC(=O)c2cnn(C)c2)cc1
InChIInChI=1S/C18H24N4O2/c1-13(2)9-22-11-16(22)12-24-17-6-4-15(5-7-17)20-18(23)14-8-19-21(3)10-14/h4-8,10,13,16H,9,11-12H2,1-3H3,(H,20,23)
InChIKeySUDSZWDFYMBVFE-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.39
Rot. Bonds7

About 1-methyl-N-[4-[[1-(2-methylpropyl)aziridin-2-yl]methoxy]phenyl]pyrazole-4-carboxamide

1-methyl-N-[4-[[1-(2-methylpropyl)aziridin-2-yl]methoxy]phenyl]pyrazole-4-carboxamide (PubChem CID 154881275) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-methyl-N-[4-[[1-(2-methylpropyl)aziridin-2-yl]methoxy]phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[4-[[1-(2-methylpropyl)aziridin-2-yl]methoxy]phenyl]pyrazole-4-carboxamide
PubChem CID154881275
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-methyl-N-[4-[[1-(2-methylpropyl)aziridin-2-yl]methoxy]phenyl]pyrazole-4-carboxamide
SMILESCC(C)CN1CC1COc1ccc(NC(=O)c2cnn(C)c2)cc1
InChIInChI=1S/C18H24N4O2/c1-13(2)9-22-11-16(22)12-24-17-6-4-15(5-7-17)20-18(23)14-8-19-21(3)10-14/h4-8,10,13,16H,9,11-12H2,1-3H3,(H,20,23)
InChIKeySUDSZWDFYMBVFE-UHFFFAOYSA-N
XLogP2.39
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

N-[4-(hydroxymethyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 64794504
ethyl 4-[(1-methylpyrazole-4-carbonyl)amino]benzoate
CID 29204718
1-methyl-N-[4-(methylcarbamoylamino)phenyl]pyrazole-4-carboxamide
CID 47143175
1-methyl-N-[4-(methylaminomethyl)phenyl]pyrazole-4-carboxamide
CID 106909878
N-[4-(diethylamino)phenyl]-1-methylpyrazole-4-carboxamide
CID 19474486
1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrazole-4-carboxamide
CID 9303499
1-(2-methylpropyl)-N-pyridazin-4-ylpyrazole-4-carboxamide
CID 45255887
N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1-methylpyrazole-4-carboxamide
CID 110461808
1-methyl-N-(6-methylheptan-2-yl)pyrazole-4-carboxamide
CID 86915318
1-methyl-N-[3-(2-phenoxyethoxymethyl)phenyl]pyrazole-4-carboxamide
CID 87006781
1-methyl-N-propan-2-ylpyrazole-4-carboxamide;molecular hydrogen
CID 169175366
1-methyl-N-[3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide
CID 18146246

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-[[1-(2-methylpropyl)aziridin-2-yl]methoxy]phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[4-[[1-(2-methylpropyl)aziridin-2-yl]methoxy]phenyl]pyrazole-4-carboxamide (CID 154881275) is 1-methyl-N-[4-[[1-(2-methylpropyl)aziridin-2-yl]methoxy]phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[4-[[1-(2-methylpropyl)aziridin-2-yl]methoxy]phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[4-[[1-(2-methylpropyl)aziridin-2-yl]methoxy]phenyl]pyrazole-4-carboxamide is CC(C)CN1CC1COc1ccc(NC(=O)c2cnn(C)c2)cc1.
What is the InChIKey of 1-methyl-N-[4-[[1-(2-methylpropyl)aziridin-2-yl]methoxy]phenyl]pyrazole-4-carboxamide?
The InChIKey is SUDSZWDFYMBVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13(2)9-22-11-16(22)12-24-17-6-4-15(5-7-17)20-18(23)14-8-19-21(3)10-14/h4-8,10,13,16H,9,11-12H2,1-3H3,(H,20,23).
What are the key properties of 1-methyl-N-[4-[[1-(2-methylpropyl)aziridin-2-yl]methoxy]phenyl]pyrazole-4-carboxamide?
1-methyl-N-[4-[[1-(2-methylpropyl)aziridin-2-yl]methoxy]phenyl]pyrazole-4-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-[[1-(2-methylpropyl)aziridin-2-yl]methoxy]phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 154881275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).