3-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxybenzamide

C13H16N4O2 — CID 104616630

IUPAC3-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxybenzamide
SMILESCCc1cn[nH]c1NC(=O)c1cccc(N)c1OC
InChIInChI=1S/C13H16N4O2/c1-3-8-7-15-17-12(8)16-13(18)9-5-4-6-10(14)11(9)19-2/h4-7H,3,14H2,1-2H3,(H2,15,16,17,18)
InChIKeySSDSOQGMKVHGMR-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.82
Rot. Bonds4

About 3-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxybenzamide

3-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxybenzamide (PubChem CID 104616630) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 3-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxybenzamide.

Molecular Properties

Compound Name3-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxybenzamide
PubChem CID104616630
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name3-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxybenzamide
SMILESCCc1cn[nH]c1NC(=O)c1cccc(N)c1OC
InChIInChI=1S/C13H16N4O2/c1-3-8-7-15-17-12(8)16-13(18)9-5-4-6-10(14)11(9)19-2/h4-7H,3,14H2,1-2H3,(H2,15,16,17,18)
InChIKeySSDSOQGMKVHGMR-UHFFFAOYSA-N
XLogP1.82
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-methoxybenzamide
CID 5330984
2-methoxy-N-[2-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide
CID 24791230
1-[4-[(2-fluoro-6-methoxybenzoyl)amino]-1H-pyrazol-5-yl]piperidine-4-carboxamide
CID 70654070
3-amino-2-Methoxy-N-(2-methyl-5-pentafluoroethyl-4-trifluoromethyl-2H-pyrazol-3-yl)-benzamide
CID 86698914
2-fluoro-6-methoxy-N-[5-(5-oxo-1-propan-2-yl-4H-1,2,4-triazol-3-yl)-1H-pyrazol-4-yl]benzamide
CID 136140892
Hydroxy-[2-methoxy-3-[[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]carbamoyl]phenyl]azanium
CID 144387181
5-fluoro-2-methoxy-N-(1-methylpyrazol-3-yl)benzamide
CID 31853928
2-(difluoromethoxy)-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 55260404
5-fluoro-2-methoxy-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 60240247
2-(difluoromethoxy)-N-(1H-pyrazol-5-yl)benzamide
CID 61393077
2-fluoro-6-methoxy-N-(1H-pyrazol-5-yl)benzamide
CID 65432110
2-fluoro-6-methoxy-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 65432886

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxybenzamide?
The IUPAC name of 3-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxybenzamide (CID 104616630) is 3-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxybenzamide.
What is the SMILES notation for 3-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxybenzamide?
The canonical SMILES for 3-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxybenzamide is CCc1cn[nH]c1NC(=O)c1cccc(N)c1OC.
What is the InChIKey of 3-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxybenzamide?
The InChIKey is SSDSOQGMKVHGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-3-8-7-15-17-12(8)16-13(18)9-5-4-6-10(14)11(9)19-2/h4-7H,3,14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 3-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxybenzamide?
3-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxybenzamide has a molecular weight of 260.30 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxybenzamide is sourced from PubChem (CID 104616630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).