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

C12H12F2N4O — CID 55053425

IUPAC3-amino-N-[(2,4-difluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(N)c1C(=O)NCc1ccc(F)cc1F
InChIInChI=1S/C12H12F2N4O/c1-6-10(11(15)18-17-6)12(19)16-5-7-2-3-8(13)4-9(7)14/h2-4H,5H2,1H3,(H,16,19)(H3,15,17,18)
InChIKeyZASLPOKNJWBAHP-UHFFFAOYSA-N
MW266.25 g/mol
LogP1.51
Rot. Bonds3

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

3-amino-N-[(2,4-difluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 55053425) has the molecular formula C12H12F2N4O and a molecular weight of 266.25 g/mol. Its IUPAC name is 3-amino-N-[(2,4-difluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(2,4-difluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID55053425
Molecular FormulaC12H12F2N4O
Molecular Weight266.25 g/mol
Exact Mass266.10
IUPAC Name3-amino-N-[(2,4-difluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(N)c1C(=O)NCc1ccc(F)cc1F
InChIInChI=1S/C12H12F2N4O/c1-6-10(11(15)18-17-6)12(19)16-5-7-2-3-8(13)4-9(7)14/h2-4H,5H2,1H3,(H,16,19)(H3,15,17,18)
InChIKeyZASLPOKNJWBAHP-UHFFFAOYSA-N
XLogP1.51
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-5-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazole-4-carboxamide
CID 55081557
4-amino-N-[(2,4-difluorophenyl)methyl]-6-methylpyridine-3-carboxamide
CID 81239765
(2,4-difluorophenyl)methylcarbamic acid
CID 23207286
N-[(2,4-difluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 121084055
3-(4-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]-1H-pyrazole-5-carboxamide
CID 45030562
4-amino-N-[(2,4-difluorophenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 62223612
4-carbamothioyl-N-[(2,4-difluorophenyl)methyl]benzamide
CID 62063820
4-amino-N-[(2,4-difluorophenyl)methyl]-1-methylpyrazole-5-carboxamide
CID 65360048
4-amino-N-[(2,4-difluorophenyl)methyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116665288
2-bromo-N-[(2,4-difluorophenyl)methyl]-6-fluorobenzamide
CID 115678323
N-[(3-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43583060
N-[(2,4-difluorophenyl)methyl]-1,2-oxazole-5-carboxamide
CID 155823207

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2,4-difluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-amino-N-[(2,4-difluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide (CID 55053425) is 3-amino-N-[(2,4-difluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-[(2,4-difluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-amino-N-[(2,4-difluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide is Cc1[nH]nc(N)c1C(=O)NCc1ccc(F)cc1F.
What is the InChIKey of 3-amino-N-[(2,4-difluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is ZASLPOKNJWBAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4O/c1-6-10(11(15)18-17-6)12(19)16-5-7-2-3-8(13)4-9(7)14/h2-4H,5H2,1H3,(H,16,19)(H3,15,17,18).
What are the key properties of 3-amino-N-[(2,4-difluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide?
3-amino-N-[(2,4-difluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 266.25 g/mol, XLogP of 1.51, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2,4-difluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 55053425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).