N-[2-[(4-fluoro-2-methylbenzoyl)amino]ethyl]-1H-pyrazole-5-carboxamide

C14H15FN4O2 — CID 75518713

IUPACN-[2-[(4-fluoro-2-methylbenzoyl)amino]ethyl]-1H-pyrazole-5-carboxamide
SMILESCc1cc(F)ccc1C(=O)NCCNC(=O)c1ccn[nH]1
InChIInChI=1S/C14H15FN4O2/c1-9-8-10(15)2-3-11(9)13(20)16-6-7-17-14(21)12-4-5-18-19-12/h2-5,8H,6-7H2,1H3,(H,16,20)(H,17,21)(H,18,19)
InChIKeyCCWCQPQDGWMXDG-UHFFFAOYSA-N
MW290.30 g/mol
LogP1.02
Rot. Bonds5

About N-[2-[(4-fluoro-2-methylbenzoyl)amino]ethyl]-1H-pyrazole-5-carboxamide

N-[2-[(4-fluoro-2-methylbenzoyl)amino]ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 75518713) has the molecular formula C14H15FN4O2 and a molecular weight of 290.30 g/mol. Its IUPAC name is N-[2-[(4-fluoro-2-methylbenzoyl)amino]ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-fluoro-2-methylbenzoyl)amino]ethyl]-1H-pyrazole-5-carboxamide
PubChem CID75518713
Molecular FormulaC14H15FN4O2
Molecular Weight290.30 g/mol
Exact Mass290.12
IUPAC NameN-[2-[(4-fluoro-2-methylbenzoyl)amino]ethyl]-1H-pyrazole-5-carboxamide
SMILESCc1cc(F)ccc1C(=O)NCCNC(=O)c1ccn[nH]1
InChIInChI=1S/C14H15FN4O2/c1-9-8-10(15)2-3-11(9)13(20)16-6-7-17-14(21)12-4-5-18-19-12/h2-5,8H,6-7H2,1H3,(H,16,20)(H,17,21)(H,18,19)
InChIKeyCCWCQPQDGWMXDG-UHFFFAOYSA-N
XLogP1.02
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluoro-2-methylphenyl)-1H-pyrazole-5-carboxamide
CID 47177432
4-fluoro-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylbenzamide
CID 115745663
4-fluoro-N-(4-hydroxybutyl)-2-methylbenzamide
CID 106841516
N-[5-(2,4-difluoro-6-methylphenyl)-3-oxohex-5-enyl]-1H-pyrazole-5-carboxamide
CID 163806450
N-(4-amino-4-oxobutyl)-4-fluoro-2-methylbenzamide
CID 112702489
N-[3-(dimethylamino)-3-oxopropyl]-4-fluoro-2-methylbenzamide
CID 112702497
N-[2-[1-(3,4-difluorophenyl)ethylamino]ethyl]-1H-pyrazole-5-carboxamide
CID 86785665
4-fluoro-2-methyl-N-[2-(2-methylphenyl)ethyl]benzamide
CID 115745181
4-fluoro-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 103820316
N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 47233638
N-[2-[(2-phenylbenzoyl)amino]ethyl]-1H-pyrazole-5-carboxamide
CID 75500880
4-fluoro-2-methyl-N-(5-methylsulfanylpentyl)benzamide
CID 104920099

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluoro-2-methylbenzoyl)amino]ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-[(4-fluoro-2-methylbenzoyl)amino]ethyl]-1H-pyrazole-5-carboxamide (CID 75518713) is N-[2-[(4-fluoro-2-methylbenzoyl)amino]ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-[(4-fluoro-2-methylbenzoyl)amino]ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-[(4-fluoro-2-methylbenzoyl)amino]ethyl]-1H-pyrazole-5-carboxamide is Cc1cc(F)ccc1C(=O)NCCNC(=O)c1ccn[nH]1.
What is the InChIKey of N-[2-[(4-fluoro-2-methylbenzoyl)amino]ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is CCWCQPQDGWMXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2/c1-9-8-10(15)2-3-11(9)13(20)16-6-7-17-14(21)12-4-5-18-19-12/h2-5,8H,6-7H2,1H3,(H,16,20)(H,17,21)(H,18,19).
What are the key properties of N-[2-[(4-fluoro-2-methylbenzoyl)amino]ethyl]-1H-pyrazole-5-carboxamide?
N-[2-[(4-fluoro-2-methylbenzoyl)amino]ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 290.30 g/mol, XLogP of 1.02, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluoro-2-methylbenzoyl)amino]ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 75518713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).