4-[[4-(dimethylamino)phenyl]methylideneamino]-1-methylpyrazole-5-carboxamide

C14H17N5O — CID 657799

IUPAC4-[[4-(dimethylamino)phenyl]methylideneamino]-1-methylpyrazole-5-carboxamide
SMILESCN(C)c1ccc(/C=N/c2cnn(C)c2C(N)=O)cc1
InChIInChI=1S/C14H17N5O/c1-18(2)11-6-4-10(5-7-11)8-16-12-9-17-19(3)13(12)14(15)20/h4-9H,1-3H3,(H2,15,20)/b16-8+
InChIKeyRDNYXEFUCZMGTB-LZYBPNLTSA-N
MW271.32 g/mol
LogP1.34
Rot. Bonds4

About 4-[[4-(dimethylamino)phenyl]methylideneamino]-1-methylpyrazole-5-carboxamide

4-[[4-(dimethylamino)phenyl]methylideneamino]-1-methylpyrazole-5-carboxamide (PubChem CID 657799) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)phenyl]methylideneamino]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[[4-(dimethylamino)phenyl]methylideneamino]-1-methylpyrazole-5-carboxamide
PubChem CID657799
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name4-[[4-(dimethylamino)phenyl]methylideneamino]-1-methylpyrazole-5-carboxamide
SMILESCN(C)c1ccc(/C=N/c2cnn(C)c2C(N)=O)cc1
InChIInChI=1S/C14H17N5O/c1-18(2)11-6-4-10(5-7-11)8-16-12-9-17-19(3)13(12)14(15)20/h4-9H,1-3H3,(H2,15,20)/b16-8+
InChIKeyRDNYXEFUCZMGTB-LZYBPNLTSA-N
XLogP1.34
TPSA76.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)phenyl]methylideneamino]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-[[4-(dimethylamino)phenyl]methylideneamino]-1-methylpyrazole-5-carboxamide (CID 657799) is 4-[[4-(dimethylamino)phenyl]methylideneamino]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-[[4-(dimethylamino)phenyl]methylideneamino]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-[[4-(dimethylamino)phenyl]methylideneamino]-1-methylpyrazole-5-carboxamide is CN(C)c1ccc(/C=N/c2cnn(C)c2C(N)=O)cc1.
What is the InChIKey of 4-[[4-(dimethylamino)phenyl]methylideneamino]-1-methylpyrazole-5-carboxamide?
The InChIKey is RDNYXEFUCZMGTB-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H17N5O/c1-18(2)11-6-4-10(5-7-11)8-16-12-9-17-19(3)13(12)14(15)20/h4-9H,1-3H3,(H2,15,20)/b16-8+.
What are the key properties of 4-[[4-(dimethylamino)phenyl]methylideneamino]-1-methylpyrazole-5-carboxamide?
4-[[4-(dimethylamino)phenyl]methylideneamino]-1-methylpyrazole-5-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)phenyl]methylideneamino]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 657799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).