1-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)pyrazole-3-carboxamide

C14H18N4O3 — CID 61115162

IUPAC1-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)pyrazole-3-carboxamide
SMILESNc1ccc(-n2ccc(C(=O)N(CCO)CCO)n2)cc1
InChIInChI=1S/C14H18N4O3/c15-11-1-3-12(4-2-11)18-6-5-13(16-18)14(21)17(7-9-19)8-10-20/h1-6,19-20H,7-10,15H2
InChIKeyKFDCABOZKPMKQD-UHFFFAOYSA-N
MW290.32 g/mol
LogP-0.12
Rot. Bonds6

About 1-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)pyrazole-3-carboxamide

1-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)pyrazole-3-carboxamide (PubChem CID 61115162) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)pyrazole-3-carboxamide
PubChem CID61115162
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name1-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)pyrazole-3-carboxamide
SMILESNc1ccc(-n2ccc(C(=O)N(CCO)CCO)n2)cc1
InChIInChI=1S/C14H18N4O3/c15-11-1-3-12(4-2-11)18-6-5-13(16-18)14(21)17(7-9-19)8-10-20/h1-6,19-20H,7-10,15H2
InChIKeyKFDCABOZKPMKQD-UHFFFAOYSA-N
XLogP-0.12
TPSA104.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-oxoethyl)-1-(4-aminophenyl)-N-ethylpyrazole-3-carboxamide
CID 103100909
1-(4-aminophenyl)pyrazole-3-carboxamide
CID 25247604
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-phenylpyrazole-3-carboxamide
CID 107482740
1-(4-aminophenyl)-N-(2-methylbutyl)pyrazole-3-carboxamide
CID 62700733
N,N-bis(2-hydroxyethyl)-1-methylpyrazole-3-carboxamide
CID 103915328
1-(4-aminophenyl)-N-(3-methylbutyl)pyrazole-3-carboxamide
CID 43475362
methoxymethyl 1-(4-aminophenyl)pyrazole-3-carboxylate
CID 65365026
1-(4-aminophenyl)-N-(3-methylsulfanylpropyl)pyrazole-3-carboxamide
CID 63981332
[2-(ethylamino)-2-oxoethyl] 1-(4-aminophenyl)pyrazole-3-carboxylate
CID 61314891
1-(4-aminophenyl)-N-(3-methylpentan-3-yl)pyrazole-3-carboxamide
CID 106327787
(1-amino-1-oxobutan-2-yl) 1-(4-aminophenyl)pyrazole-3-carboxylate
CID 62899699
(3-amino-2-methyl-3-oxopropyl) 1-(4-aminophenyl)pyrazole-3-carboxylate
CID 61315652

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)pyrazole-3-carboxamide (CID 61115162) is 1-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)pyrazole-3-carboxamide is Nc1ccc(-n2ccc(C(=O)N(CCO)CCO)n2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)pyrazole-3-carboxamide?
The InChIKey is KFDCABOZKPMKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c15-11-1-3-12(4-2-11)18-6-5-13(16-18)14(21)17(7-9-19)8-10-20/h1-6,19-20H,7-10,15H2.
What are the key properties of 1-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)pyrazole-3-carboxamide?
1-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)pyrazole-3-carboxamide has a molecular weight of 290.32 g/mol, XLogP of -0.12, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 61115162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).