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

C14H17FN4O — CID 119628857

IUPACN-(2-amino-2-methylpropyl)-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
SMILESCC(C)(N)CNC(=O)c1cn[nH]c1-c1ccccc1F
InChIInChI=1S/C14H17FN4O/c1-14(2,16)8-17-13(20)10-7-18-19-12(10)9-5-3-4-6-11(9)15/h3-7H,8,16H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyINVQAXLXQXQRFP-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.68
Rot. Bonds4

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

N-(2-amino-2-methylpropyl)-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide (PubChem CID 119628857) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
PubChem CID119628857
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC NameN-(2-amino-2-methylpropyl)-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
SMILESCC(C)(N)CNC(=O)c1cn[nH]c1-c1ccccc1F
InChIInChI=1S/C14H17FN4O/c1-14(2,16)8-17-13(20)10-7-18-19-12(10)9-5-3-4-6-11(9)15/h3-7H,8,16H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyINVQAXLXQXQRFP-UHFFFAOYSA-N
XLogP1.68
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-methylpropyl)-5-(2-chlorophenyl)-1H-pyrazole-4-carboxamide;hydrochloride
CID 119630152
N-[1-[[5-(2-fluorophenyl)-1H-pyrazole-4-carbonyl]amino]-2-methylpropan-2-yl]-4-methyl-1H-pyrazole-5-carboxamide
CID 167745276
5-(2-fluorophenyl)-N-[3-(methylamino)propyl]-1H-pyrazole-4-carboxamide
CID 119432488
5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 171539156
5-(2-fluorophenyl)-N-[(3R)-3-hydroxy-3-phenylpropyl]-1H-pyrazole-4-carboxamide
CID 97051849
5-(2-fluorophenyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]-1H-pyrazole-4-carboxamide
CID 71856768
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 71922084
5-(2-fluorophenyl)-N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-1H-pyrazole-4-carboxamide
CID 97320264
N-(2-amino-2-methylpropyl)-5-[3-(difluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide
CID 119630747
5-(2-fluorophenyl)-N-(4-imidazol-1-ylbutyl)-1H-pyrazole-4-carboxamide
CID 75378535
N-[2-(carbamoylamino)ethyl]-5-(2-chlorophenyl)-1H-pyrazole-4-carboxamide
CID 155951273
N-(3-amino-3-oxopropyl)-5-(2,5-difluorophenyl)-1H-pyrazole-4-carboxamide
CID 171539134

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide (CID 119628857) is N-(2-amino-2-methylpropyl)-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide is CC(C)(N)CNC(=O)c1cn[nH]c1-c1ccccc1F.
What is the InChIKey of N-(2-amino-2-methylpropyl)-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is INVQAXLXQXQRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-14(2,16)8-17-13(20)10-7-18-19-12(10)9-5-3-4-6-11(9)15/h3-7H,8,16H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-(2-amino-2-methylpropyl)-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide?
N-(2-amino-2-methylpropyl)-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 276.31 g/mol, XLogP of 1.68, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 119628857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).