5-tert-butyl-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide

C17H23N5O — CID 5412739

IUPAC5-tert-butyl-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide
SMILESCN(C)c1ccc(/C=N\NC(=O)c2cc(C(C)(C)C)[nH]n2)cc1
InChIInChI=1S/C17H23N5O/c1-17(2,3)15-10-14(19-20-15)16(23)21-18-11-12-6-8-13(9-7-12)22(4)5/h6-11H,1-5H3,(H,19,20)(H,21,23)/b18-11-
InChIKeyZYDLDCUJAUITBK-WQRHYEAKSA-N
MW313.41 g/mol
LogP2.54
Rot. Bonds4

About 5-tert-butyl-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide

5-tert-butyl-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide (PubChem CID 5412739) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 5-tert-butyl-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide
PubChem CID5412739
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name5-tert-butyl-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide
SMILESCN(C)c1ccc(/C=N\NC(=O)c2cc(C(C)(C)C)[nH]n2)cc1
InChIInChI=1S/C17H23N5O/c1-17(2,3)15-10-14(19-20-15)16(23)21-18-11-12-6-8-13(9-7-12)22(4)5/h6-11H,1-5H3,(H,19,20)(H,21,23)/b18-11-
InChIKeyZYDLDCUJAUITBK-WQRHYEAKSA-N
XLogP2.54
TPSA73.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-tert-butyl-N-[(Z)-(4-tert-butylphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 5405278
5-tert-butyl-N-[[4-(trifluoromethyl)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide
CID 2042115
5-cyclopropyl-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide
CID 5412764
5-tert-butyl-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 135514234
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 5445597
5-tert-butyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 1351155
5-tert-butyl-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 135909108
5-tert-butyl-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-1H-pyrazole-3-carboxamide
CID 135842393
5-tert-butyl-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 6863416
5-tert-butyl-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide
CID 5332549
5-tert-butyl-N-[(2-chlorophenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 760685
5-tert-butyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 5345393

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-tert-butyl-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide (CID 5412739) is 5-tert-butyl-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-tert-butyl-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide is CN(C)c1ccc(/C=N\NC(=O)c2cc(C(C)(C)C)[nH]n2)cc1.
What is the InChIKey of 5-tert-butyl-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide?
The InChIKey is ZYDLDCUJAUITBK-WQRHYEAKSA-N. The full InChI is InChI=1S/C17H23N5O/c1-17(2,3)15-10-14(19-20-15)16(23)21-18-11-12-6-8-13(9-7-12)22(4)5/h6-11H,1-5H3,(H,19,20)(H,21,23)/b18-11-.
What are the key properties of 5-tert-butyl-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide?
5-tert-butyl-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide has a molecular weight of 313.41 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 5412739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).