N-(2-aminoethyl)-4-(4-fluorophenyl)-1H-pyrazole-5-carboxamide

C12H13FN4O — CID 19768638

IUPACN-(2-aminoethyl)-4-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESNCCNC(=O)c1[nH]ncc1-c1ccc(F)cc1
InChIInChI=1S/C12H13FN4O/c13-9-3-1-8(2-4-9)10-7-16-17-11(10)12(18)15-6-5-14/h1-4,7H,5-6,14H2,(H,15,18)(H,16,17)
InChIKeyJFAWFAXGRYGHLH-UHFFFAOYSA-N
MW248.26 g/mol
LogP0.90
Rot. Bonds4

About N-(2-aminoethyl)-4-(4-fluorophenyl)-1H-pyrazole-5-carboxamide

N-(2-aminoethyl)-4-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 19768638) has the molecular formula C12H13FN4O and a molecular weight of 248.26 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID19768638
Molecular FormulaC12H13FN4O
Molecular Weight248.26 g/mol
Exact Mass248.11
IUPAC NameN-(2-aminoethyl)-4-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESNCCNC(=O)c1[nH]ncc1-c1ccc(F)cc1
InChIInChI=1S/C12H13FN4O/c13-9-3-1-8(2-4-9)10-7-16-17-11(10)12(18)15-6-5-14/h1-4,7H,5-6,14H2,(H,15,18)(H,16,17)
InChIKeyJFAWFAXGRYGHLH-UHFFFAOYSA-N
XLogP0.90
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl-[2-[[4-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]ethyl]carbamic acid
CID 70365466
5-amino-N-(2-aminoethyl)-1H-pyrazole-4-carboxamide
CID 110484096
3-[2-[(4-pyridin-4-yl-1H-pyrazole-5-carbonyl)amino]ethyldisulfanyl]propanoic acid;2,2,2-trifluoroacetic acid
CID 166425022
N-(2-fluoroethyl)-4-iodo-1H-pyrazole-5-carboxamide
CID 130614280
N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-4-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 166300242
3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]-2-methylpropanoic acid
CID 105423684
ethyl 4-(4-chlorophenyl)-1H-pyrazole-5-carboxylate
CID 44515223
N-(3-amino-3-oxopropyl)-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide;chlorobenzene
CID 171540373
4-amino-N-(2,6-difluorophenyl)-1H-pyrazole-5-carboxamide
CID 63107429
N-[5-(4-methylphenyl)-1H-imidazol-2-yl]-4-phenyl-1H-pyrazole-5-carboxamide
CID 56931422
N-(3-amino-3-oxopropyl)-5-(2,5-difluorophenyl)-1H-pyrazole-4-carboxamide
CID 171539134
4-fluoro-N-[2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]ethyl]benzamide
CID 46998774

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2-aminoethyl)-4-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (CID 19768638) is N-(2-aminoethyl)-4-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-4-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-4-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is NCCNC(=O)c1[nH]ncc1-c1ccc(F)cc1.
What is the InChIKey of N-(2-aminoethyl)-4-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is JFAWFAXGRYGHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O/c13-9-3-1-8(2-4-9)10-7-16-17-11(10)12(18)15-6-5-14/h1-4,7H,5-6,14H2,(H,15,18)(H,16,17).
What are the key properties of N-(2-aminoethyl)-4-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
N-(2-aminoethyl)-4-(4-fluorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 248.26 g/mol, XLogP of 0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19768638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).