3-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide

C11H8ClF3N4O — CID 116698677

IUPAC3-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
SMILESNc1cc(C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)[nH]n1
InChIInChI=1S/C11H8ClF3N4O/c12-6-1-5(11(13,14)15)2-7(3-6)17-10(20)8-4-9(16)19-18-8/h1-4H,(H,17,20)(H3,16,18,19)
InChIKeyNINILCRSBITLSZ-UHFFFAOYSA-N
MW304.66 g/mol
LogP2.92
Rot. Bonds2

About 3-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide

3-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 116698677) has the molecular formula C11H8ClF3N4O and a molecular weight of 304.66 g/mol. Its IUPAC name is 3-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
PubChem CID116698677
Molecular FormulaC11H8ClF3N4O
Molecular Weight304.66 g/mol
Exact Mass304.03
IUPAC Name3-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
SMILESNc1cc(C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)[nH]n1
InChIInChI=1S/C11H8ClF3N4O/c12-6-1-5(11(13,14)15)2-7(3-6)17-10(20)8-4-9(16)19-18-8/h1-4H,(H,17,20)(H3,16,18,19)
InChIKeyNINILCRSBITLSZ-UHFFFAOYSA-N
XLogP2.92
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.66
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-chloro-5-(trifluoromethyl)phenyl]-4-sulfanylbenzamide
CID 107036187
4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylthiophene-2-carboxamide
CID 116698668
3-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 64854925
4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide
CID 116698676
2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 116699767
5-bromo-N-[3-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 116700198
2-[[3-chloro-5-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
CID 85472840
2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-ethylbutanamide
CID 116699866
N-[3-chloro-5-(trifluoromethyl)phenyl]-3-hydroxypyridine-4-carboxamide
CID 116700273
methyl 2-[3-chloro-5-(trifluoromethyl)anilino]-2-oxoacetate
CID 116700746
1-[3-chloro-5-(trifluoromethyl)phenyl]-3-ethylurea
CID 116699308
4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 116699700

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide (CID 116698677) is 3-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide is Nc1cc(C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)[nH]n1.
What is the InChIKey of 3-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is NINILCRSBITLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N4O/c12-6-1-5(11(13,14)15)2-7(3-6)17-10(20)8-4-9(16)19-18-8/h1-4H,(H,17,20)(H3,16,18,19).
What are the key properties of 3-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide?
3-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 304.66 g/mol, XLogP of 2.92, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 116698677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).