3-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-5-carboxamide

C11H9F3N4O2 — CID 64525284

IUPAC3-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-5-carboxamide
SMILESNc1cc(C(=O)Nc2ccc(OC(F)F)c(F)c2)[nH]n1
InChIInChI=1S/C11H9F3N4O2/c12-6-3-5(1-2-8(6)20-11(13)14)16-10(19)7-4-9(15)18-17-7/h1-4,11H,(H,16,19)(H3,15,17,18)
InChIKeyUANNHSHYONPFFA-UHFFFAOYSA-N
MW286.21 g/mol
LogP1.98
Rot. Bonds4

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

3-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-5-carboxamide (PubChem CID 64525284) has the molecular formula C11H9F3N4O2 and a molecular weight of 286.21 g/mol. Its IUPAC name is 3-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-5-carboxamide
PubChem CID64525284
Molecular FormulaC11H9F3N4O2
Molecular Weight286.21 g/mol
Exact Mass286.07
IUPAC Name3-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-5-carboxamide
SMILESNc1cc(C(=O)Nc2ccc(OC(F)F)c(F)c2)[nH]n1
InChIInChI=1S/C11H9F3N4O2/c12-6-3-5(1-2-8(6)20-11(13)14)16-10(19)7-4-9(15)18-17-7/h1-4,11H,(H,16,19)(H3,15,17,18)
InChIKeyUANNHSHYONPFFA-UHFFFAOYSA-N
XLogP1.98
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-5-carboxamide
CID 63101769
4-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,2,5-oxadiazole-3-carboxamide
CID 62688517
3-amino-N-(4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamide
CID 64524809
N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514552
N-[4-(difluoromethoxy)-3-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87026065
2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]pyridine-4-carboxamide
CID 61040886
6-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrazine-2-carboxamide
CID 106551160
3-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]propanamide;hydrochloride
CID 119295358
N-[4-(difluoromethoxy)-3-fluorophenyl]propanamide
CID 61062106
2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]acetamide
CID 60807874
2-hydroxyethyl N-[4-(difluoromethoxy)-3-fluorophenyl]carbamate
CID 79346339
5-bromo-N-[4-(difluoromethoxy)-3-fluorophenyl]thiophene-2-carboxamide
CID 61061949

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-5-carboxamide (CID 64525284) is 3-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-5-carboxamide is Nc1cc(C(=O)Nc2ccc(OC(F)F)c(F)c2)[nH]n1.
What is the InChIKey of 3-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is UANNHSHYONPFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O2/c12-6-3-5(1-2-8(6)20-11(13)14)16-10(19)7-4-9(15)18-17-7/h1-4,11H,(H,16,19)(H3,15,17,18).
What are the key properties of 3-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-5-carboxamide?
3-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 286.21 g/mol, XLogP of 1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64525284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).