N-[2-[1-(3,4-difluorophenyl)ethylamino]ethyl]-1H-pyrazole-5-carboxamide

C14H16F2N4O — CID 86785665

IUPACN-[2-[1-(3,4-difluorophenyl)ethylamino]ethyl]-1H-pyrazole-5-carboxamide
SMILESCC(NCCNC(=O)c1ccn[nH]1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H16F2N4O/c1-9(10-2-3-11(15)12(16)8-10)17-6-7-18-14(21)13-4-5-19-20-13/h2-5,8-9,17H,6-7H2,1H3,(H,18,21)(H,19,20)
InChIKeyHSAWFHVYNFXZHA-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.77
Rot. Bonds6

About N-[2-[1-(3,4-difluorophenyl)ethylamino]ethyl]-1H-pyrazole-5-carboxamide

N-[2-[1-(3,4-difluorophenyl)ethylamino]ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 86785665) has the molecular formula C14H16F2N4O and a molecular weight of 294.31 g/mol. Its IUPAC name is N-[2-[1-(3,4-difluorophenyl)ethylamino]ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(3,4-difluorophenyl)ethylamino]ethyl]-1H-pyrazole-5-carboxamide
PubChem CID86785665
Molecular FormulaC14H16F2N4O
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC NameN-[2-[1-(3,4-difluorophenyl)ethylamino]ethyl]-1H-pyrazole-5-carboxamide
SMILESCC(NCCNC(=O)c1ccn[nH]1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H16F2N4O/c1-9(10-2-3-11(15)12(16)8-10)17-6-7-18-14(21)13-4-5-19-20-13/h2-5,8-9,17H,6-7H2,1H3,(H,18,21)(H,19,20)
InChIKeyHSAWFHVYNFXZHA-UHFFFAOYSA-N
XLogP1.77
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.77
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-[1-(3,4-difluorophenyl)-2-methylprop-2-enyl]-1H-pyrazole-5-carboxamide
CID 122144923
tert-butyl N-[2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]ethyl]carbamate
CID 124575856
N-[2-[(4-fluoro-2-methylbenzoyl)amino]ethyl]-1H-pyrazole-5-carboxamide
CID 75518713
2-[1-(3,4-difluorophenyl)ethylamino]-N-propan-2-ylacetamide
CID 43398099
2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 8637979
N-[2-[[N'-(2-methylpropyl)carbamimidoyl]amino]ethyl]-1H-pyrazole-5-carboxamide;hydroiodide
CID 110018237
N-[1-(3,4-difluorophenyl)ethyl]pentan-1-amine
CID 43177678
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 8638855
N-(2-sulfamoylethyl)-1H-pyrazole-5-carboxamide
CID 61067022
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(4-fluorophenyl)acetamide
CID 9376532
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(propylcarbamoyl)acetamide
CID 9375772
N-[2-[(5-bromo-6-methyl-2-pyridinyl)amino]ethyl]-1H-pyrazole-5-carboxamide
CID 133452838

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(3,4-difluorophenyl)ethylamino]ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-[1-(3,4-difluorophenyl)ethylamino]ethyl]-1H-pyrazole-5-carboxamide (CID 86785665) is N-[2-[1-(3,4-difluorophenyl)ethylamino]ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-[1-(3,4-difluorophenyl)ethylamino]ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-[1-(3,4-difluorophenyl)ethylamino]ethyl]-1H-pyrazole-5-carboxamide is CC(NCCNC(=O)c1ccn[nH]1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[2-[1-(3,4-difluorophenyl)ethylamino]ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is HSAWFHVYNFXZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4O/c1-9(10-2-3-11(15)12(16)8-10)17-6-7-18-14(21)13-4-5-19-20-13/h2-5,8-9,17H,6-7H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[2-[1-(3,4-difluorophenyl)ethylamino]ethyl]-1H-pyrazole-5-carboxamide?
N-[2-[1-(3,4-difluorophenyl)ethylamino]ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 1.77, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(3,4-difluorophenyl)ethylamino]ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 86785665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).