N-(2-aminophenyl)-N-(2-hydroxyethyl)-1,5-dimethylpyrazole-4-carboxamide

C14H18N4O2 — CID 43547822

IUPACN-(2-aminophenyl)-N-(2-hydroxyethyl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N(CCO)c2ccccc2N)cnn1C
InChIInChI=1S/C14H18N4O2/c1-10-11(9-16-17(10)2)14(20)18(7-8-19)13-6-4-3-5-12(13)15/h3-6,9,19H,7-8,15H2,1-2H3
InChIKeyJSLODOUSTCPAPH-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.95
Rot. Bonds4

About N-(2-aminophenyl)-N-(2-hydroxyethyl)-1,5-dimethylpyrazole-4-carboxamide

N-(2-aminophenyl)-N-(2-hydroxyethyl)-1,5-dimethylpyrazole-4-carboxamide (PubChem CID 43547822) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(2-aminophenyl)-N-(2-hydroxyethyl)-1,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-N-(2-hydroxyethyl)-1,5-dimethylpyrazole-4-carboxamide
PubChem CID43547822
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-(2-aminophenyl)-N-(2-hydroxyethyl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N(CCO)c2ccccc2N)cnn1C
InChIInChI=1S/C14H18N4O2/c1-10-11(9-16-17(10)2)14(20)18(7-8-19)13-6-4-3-5-12(13)15/h3-6,9,19H,7-8,15H2,1-2H3
InChIKeyJSLODOUSTCPAPH-UHFFFAOYSA-N
XLogP0.95
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxamide
CID 102801123
N-(3-aminopropyl)-1,5-dimethyl-N-(2-methylphenyl)pyrazole-4-carboxamide
CID 43318651
N,N-bis(2-hydroxyethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 61234511
N-(2-aminophenyl)-N-(2-hydroxyethyl)-2-methoxybenzamide
CID 43547919
N-(2-aminophenyl)-3-ethyl-N-(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide
CID 66122074
N-(2-aminophenyl)-N-(2-hydroxyethyl)propanamide
CID 43547811
N-(2-aminophenyl)-2,5-dichloro-N-(2-hydroxyethyl)benzamide
CID 43547864
N-(2-aminophenyl)-5-fluoro-2-hydroxy-N-(2-hydroxyethyl)benzamide
CID 115298336
N-(2-aminophenyl)-2-fluoro-4-hydroxy-N-(2-hydroxyethyl)benzamide
CID 107674484
N-(2-aminophenyl)-5-cyano-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 63724012
N-(2-aminophenyl)-2,6-dichloro-N-(2-hydroxyethyl)benzamide
CID 43547863
N-(3-hydroxypropyl)-1,5-dimethyl-N-propan-2-ylpyrazole-4-carboxamide
CID 54916720

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-N-(2-hydroxyethyl)-1,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(2-aminophenyl)-N-(2-hydroxyethyl)-1,5-dimethylpyrazole-4-carboxamide (CID 43547822) is N-(2-aminophenyl)-N-(2-hydroxyethyl)-1,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-N-(2-hydroxyethyl)-1,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-N-(2-hydroxyethyl)-1,5-dimethylpyrazole-4-carboxamide is Cc1c(C(=O)N(CCO)c2ccccc2N)cnn1C.
What is the InChIKey of N-(2-aminophenyl)-N-(2-hydroxyethyl)-1,5-dimethylpyrazole-4-carboxamide?
The InChIKey is JSLODOUSTCPAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10-11(9-16-17(10)2)14(20)18(7-8-19)13-6-4-3-5-12(13)15/h3-6,9,19H,7-8,15H2,1-2H3.
What are the key properties of N-(2-aminophenyl)-N-(2-hydroxyethyl)-1,5-dimethylpyrazole-4-carboxamide?
N-(2-aminophenyl)-N-(2-hydroxyethyl)-1,5-dimethylpyrazole-4-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-N-(2-hydroxyethyl)-1,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 43547822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).