N-[3-(4-aminophenyl)-1-methylpyrazol-5-yl]-3-azidobenzamide

C17H15N7O — CID 170346234

IUPACN-[3-(4-aminophenyl)-1-methylpyrazol-5-yl]-3-azidobenzamide
SMILESCn1nc(-c2ccc(N)cc2)cc1NC(=O)c1cccc(N=[N+]=[N-])c1
InChIInChI=1S/C17H15N7O/c1-24-16(10-15(22-24)11-5-7-13(18)8-6-11)20-17(25)12-3-2-4-14(9-12)21-23-19/h2-10H,18H2,1H3,(H,20,25)
InChIKeyYTOWEDLXQSFAPB-UHFFFAOYSA-N
MW333.36 g/mol
LogP3.86
Rot. Bonds4

About N-[3-(4-aminophenyl)-1-methylpyrazol-5-yl]-3-azidobenzamide

N-[3-(4-aminophenyl)-1-methylpyrazol-5-yl]-3-azidobenzamide (PubChem CID 170346234) has the molecular formula C17H15N7O and a molecular weight of 333.36 g/mol. Its IUPAC name is N-[3-(4-aminophenyl)-1-methylpyrazol-5-yl]-3-azidobenzamide.

Molecular Properties

Compound NameN-[3-(4-aminophenyl)-1-methylpyrazol-5-yl]-3-azidobenzamide
PubChem CID170346234
Molecular FormulaC17H15N7O
Molecular Weight333.36 g/mol
Exact Mass333.13
IUPAC NameN-[3-(4-aminophenyl)-1-methylpyrazol-5-yl]-3-azidobenzamide
SMILESCn1nc(-c2ccc(N)cc2)cc1NC(=O)c1cccc(N=[N+]=[N-])c1
InChIInChI=1S/C17H15N7O/c1-24-16(10-15(22-24)11-5-7-13(18)8-6-11)20-17(25)12-3-2-4-14(9-12)21-23-19/h2-10H,18H2,1H3,(H,20,25)
InChIKeyYTOWEDLXQSFAPB-UHFFFAOYSA-N
XLogP3.86
TPSA121.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-aminophenyl)-1-methylpyrazol-5-yl]-4-ethynylbenzamide
CID 170346108
N-[3-(4-aminophenyl)-1-methylpyrazol-5-yl]-2-fluorobenzamide
CID 170346210
methyl 3-[[3-(4-benzamidophenyl)-1-methylpyrazol-5-yl]carbamoyl]benzoate
CID 170346238
[3-[[1-methyl-3-[4-[(2-prop-2-ynoxybenzoyl)amino]phenyl]pyrazol-5-yl]carbamoyl]phenyl]iminoazanide
CID 176857983
2-acetyl-N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]benzamide
CID 176857987
[2-[[4-[5-[(3-ethynylbenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]carbamoyl]phenyl]imino-iminoazanium
CID 176857977
3-azido-N-(3,4-dimethoxyphenyl)benzamide
CID 152729082
methyl 3-[[3-[4-[(3-chloro-2-methylidenebut-3-enoyl)amino]phenyl]-1-methylpyrazol-5-yl]carbamoyl]benzoate
CID 170413534
N-[3-[4-(2-cyclohexyl-2-oxoethyl)phenyl]-1-methylpyrazol-5-yl]benzamide
CID 176857968
N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]-2-(4-methylphenyl)benzamide
CID 176857902
N-[3-(4-benzamidophenyl)-1-methylpyrazol-5-yl]-2-methoxybenzamide
CID 170346252
N-[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]-2-methyl-1-benzofuran-5-carboxamide
CID 46964110

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminophenyl)-1-methylpyrazol-5-yl]-3-azidobenzamide?
The IUPAC name of N-[3-(4-aminophenyl)-1-methylpyrazol-5-yl]-3-azidobenzamide (CID 170346234) is N-[3-(4-aminophenyl)-1-methylpyrazol-5-yl]-3-azidobenzamide.
What is the SMILES notation for N-[3-(4-aminophenyl)-1-methylpyrazol-5-yl]-3-azidobenzamide?
The canonical SMILES for N-[3-(4-aminophenyl)-1-methylpyrazol-5-yl]-3-azidobenzamide is Cn1nc(-c2ccc(N)cc2)cc1NC(=O)c1cccc(N=[N+]=[N-])c1.
What is the InChIKey of N-[3-(4-aminophenyl)-1-methylpyrazol-5-yl]-3-azidobenzamide?
The InChIKey is YTOWEDLXQSFAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O/c1-24-16(10-15(22-24)11-5-7-13(18)8-6-11)20-17(25)12-3-2-4-14(9-12)21-23-19/h2-10H,18H2,1H3,(H,20,25).
What are the key properties of N-[3-(4-aminophenyl)-1-methylpyrazol-5-yl]-3-azidobenzamide?
N-[3-(4-aminophenyl)-1-methylpyrazol-5-yl]-3-azidobenzamide has a molecular weight of 333.36 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-aminophenyl)-1-methylpyrazol-5-yl]-3-azidobenzamide is sourced from PubChem (CID 170346234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).