N-(2-amino-2-methylpropyl)-5-[3-(difluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide

C15H18F2N4O2 — CID 119630747

IUPACN-(2-amino-2-methylpropyl)-5-[3-(difluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide
SMILESCC(C)(N)CNC(=O)c1cn[nH]c1-c1cccc(OC(F)F)c1
InChIInChI=1S/C15H18F2N4O2/c1-15(2,18)8-19-13(22)11-7-20-21-12(11)9-4-3-5-10(6-9)23-14(16)17/h3-7,14H,8,18H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyWDVGUDNDJFYRTL-UHFFFAOYSA-N
MW324.33 g/mol
LogP2.15
Rot. Bonds6

About N-(2-amino-2-methylpropyl)-5-[3-(difluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide

N-(2-amino-2-methylpropyl)-5-[3-(difluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide (PubChem CID 119630747) has the molecular formula C15H18F2N4O2 and a molecular weight of 324.33 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-5-[3-(difluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-5-[3-(difluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide
PubChem CID119630747
Molecular FormulaC15H18F2N4O2
Molecular Weight324.33 g/mol
Exact Mass324.14
IUPAC NameN-(2-amino-2-methylpropyl)-5-[3-(difluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide
SMILESCC(C)(N)CNC(=O)c1cn[nH]c1-c1cccc(OC(F)F)c1
InChIInChI=1S/C15H18F2N4O2/c1-15(2,18)8-19-13(22)11-7-20-21-12(11)9-4-3-5-10(6-9)23-14(16)17/h3-7,14H,8,18H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyWDVGUDNDJFYRTL-UHFFFAOYSA-N
XLogP2.15
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-(difluoromethoxy)phenyl]-N-(1-hydroxypentan-3-yl)-1H-pyrazole-4-carboxamide
CID 109479137
N-(3-amino-2,2-dimethylpropyl)-5-[3-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride
CID 119657135
N-[2-(aminomethyl)cyclopentyl]-5-[3-(difluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide;hydrochloride
CID 119605326
N-(2-amino-2-methylpropyl)-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 119628857
N-(2-tert-butylsulfanylethyl)-5-(3-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 74235548
5-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824377
N-(2-amino-2-methylpropyl)-5-(2-chlorophenyl)-1H-pyrazole-4-carboxamide;hydrochloride
CID 119630152
5-(3-methoxyphenyl)-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824347
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 70751468
[3-(aminomethyl)pyrrolidin-1-yl]-[5-[3-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]methanone
CID 119487330
N-(2-amino-2-methylpropyl)-2-(difluoromethoxy)benzamide
CID 81482649
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-5-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 70723908

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-5-[3-(difluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-5-[3-(difluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide (CID 119630747) is N-(2-amino-2-methylpropyl)-5-[3-(difluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-5-[3-(difluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-5-[3-(difluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide is CC(C)(N)CNC(=O)c1cn[nH]c1-c1cccc(OC(F)F)c1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-5-[3-(difluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide?
The InChIKey is WDVGUDNDJFYRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4O2/c1-15(2,18)8-19-13(22)11-7-20-21-12(11)9-4-3-5-10(6-9)23-14(16)17/h3-7,14H,8,18H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-(2-amino-2-methylpropyl)-5-[3-(difluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide?
N-(2-amino-2-methylpropyl)-5-[3-(difluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide has a molecular weight of 324.33 g/mol, XLogP of 2.15, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-5-[3-(difluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 119630747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).