N'-[2-(3-fluorophenyl)acetyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide

C19H17FN4O3 — CID 78803289

IUPACN'-[2-(3-fluorophenyl)acetyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
SMILESCOc1ccc(-c2cc(C(=O)NNC(=O)Cc3cccc(F)c3)[nH]n2)cc1
InChIInChI=1S/C19H17FN4O3/c1-27-15-7-5-13(6-8-15)16-11-17(22-21-16)19(26)24-23-18(25)10-12-3-2-4-14(20)9-12/h2-9,11H,10H2,1H3,(H,21,22)(H,23,25)(H,24,26)
InChIKeyMTCWPJFWVSOMNZ-UHFFFAOYSA-N
MW368.37 g/mol
LogP2.23
Rot. Bonds5

About N'-[2-(3-fluorophenyl)acetyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide

N'-[2-(3-fluorophenyl)acetyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide (PubChem CID 78803289) has the molecular formula C19H17FN4O3 and a molecular weight of 368.37 g/mol. Its IUPAC name is N'-[2-(3-fluorophenyl)acetyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(3-fluorophenyl)acetyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
PubChem CID78803289
Molecular FormulaC19H17FN4O3
Molecular Weight368.37 g/mol
Exact Mass368.13
IUPAC NameN'-[2-(3-fluorophenyl)acetyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
SMILESCOc1ccc(-c2cc(C(=O)NNC(=O)Cc3cccc(F)c3)[nH]n2)cc1
InChIInChI=1S/C19H17FN4O3/c1-27-15-7-5-13(6-8-15)16-11-17(22-21-16)19(26)24-23-18(25)10-12-3-2-4-14(20)9-12/h2-9,11H,10H2,1H3,(H,21,22)(H,23,25)(H,24,26)
InChIKeyMTCWPJFWVSOMNZ-UHFFFAOYSA-N
XLogP2.23
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-fluorophenyl)acetyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide?
The IUPAC name of N'-[2-(3-fluorophenyl)acetyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide (CID 78803289) is N'-[2-(3-fluorophenyl)acetyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide.
What is the SMILES notation for N'-[2-(3-fluorophenyl)acetyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide?
The canonical SMILES for N'-[2-(3-fluorophenyl)acetyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide is COc1ccc(-c2cc(C(=O)NNC(=O)Cc3cccc(F)c3)[nH]n2)cc1.
What is the InChIKey of N'-[2-(3-fluorophenyl)acetyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide?
The InChIKey is MTCWPJFWVSOMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O3/c1-27-15-7-5-13(6-8-15)16-11-17(22-21-16)19(26)24-23-18(25)10-12-3-2-4-14(20)9-12/h2-9,11H,10H2,1H3,(H,21,22)(H,23,25)(H,24,26).
What are the key properties of N'-[2-(3-fluorophenyl)acetyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide?
N'-[2-(3-fluorophenyl)acetyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide has a molecular weight of 368.37 g/mol, XLogP of 2.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-fluorophenyl)acetyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide is sourced from PubChem (CID 78803289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).