1-(2,2-difluoroethyl)-3-(2-ethylpyrazol-3-yl)indazol-5-amine

C14H15F2N5 — CID 172561780

IUPAC1-(2,2-difluoroethyl)-3-(2-ethylpyrazol-3-yl)indazol-5-amine
SMILESCCn1nccc1-c1nn(CC(F)F)c2ccc(N)cc12
InChIInChI=1S/C14H15F2N5/c1-2-20-12(5-6-18-20)14-10-7-9(17)3-4-11(10)21(19-14)8-13(15)16/h3-7,13H,2,8,17H2,1H3
InChIKeyRHCVUIGQIKUEBE-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.77
Rot. Bonds4

About 1-(2,2-difluoroethyl)-3-(2-ethylpyrazol-3-yl)indazol-5-amine

1-(2,2-difluoroethyl)-3-(2-ethylpyrazol-3-yl)indazol-5-amine (PubChem CID 172561780) has the molecular formula C14H15F2N5 and a molecular weight of 291.31 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-(2-ethylpyrazol-3-yl)indazol-5-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-(2-ethylpyrazol-3-yl)indazol-5-amine
PubChem CID172561780
Molecular FormulaC14H15F2N5
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Name1-(2,2-difluoroethyl)-3-(2-ethylpyrazol-3-yl)indazol-5-amine
SMILESCCn1nccc1-c1nn(CC(F)F)c2ccc(N)cc12
InChIInChI=1S/C14H15F2N5/c1-2-20-12(5-6-18-20)14-10-7-9(17)3-4-11(10)21(19-14)8-13(15)16/h3-7,13H,2,8,17H2,1H3
InChIKeyRHCVUIGQIKUEBE-UHFFFAOYSA-N
XLogP2.77
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-1H-indazole
CID 797066
(2S)-1-(6-fluoroindazol-1-yl)propan-2-amine
CID 9859429
1-Methyl-1H-indazole
CID 139456
1-methyl-1H-indazol-5-amine
CID 2768032
(S)-1-(5-Fluoro-1H-indazol-1-yl)propan-2-amine
CID 44452853
N-(1-benzylpyrrolidin-3-yl)-1H-indazol-5-amine
CID 9900683
N-3-pyrrolidinyl-1H-indazol-5-amine
CID 17838141
5-(4-benzyl-1H-1,2,3-triazol-1-yl)-1H-indazole
CID 25165085
1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)-4-(4-(trifluoromethyl)phenyl)pyridin-2(1H)-one
CID 25205318
5-(4-Propyl-1h-1,2,3-triazol-1-yl)-1h-indazole
CID 44186882
5-(4-Cyclopropyl-1h-1,2,3-triazol-1-yl)-1h-indazole
CID 44186885
5-(4-phenethyl-1H-1,2,3-triazol-1-yl)-1H-indazole
CID 51346827

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-(2-ethylpyrazol-3-yl)indazol-5-amine?
The IUPAC name of 1-(2,2-difluoroethyl)-3-(2-ethylpyrazol-3-yl)indazol-5-amine (CID 172561780) is 1-(2,2-difluoroethyl)-3-(2-ethylpyrazol-3-yl)indazol-5-amine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-(2-ethylpyrazol-3-yl)indazol-5-amine?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-(2-ethylpyrazol-3-yl)indazol-5-amine is CCn1nccc1-c1nn(CC(F)F)c2ccc(N)cc12.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-(2-ethylpyrazol-3-yl)indazol-5-amine?
The InChIKey is RHCVUIGQIKUEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N5/c1-2-20-12(5-6-18-20)14-10-7-9(17)3-4-11(10)21(19-14)8-13(15)16/h3-7,13H,2,8,17H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-3-(2-ethylpyrazol-3-yl)indazol-5-amine?
1-(2,2-difluoroethyl)-3-(2-ethylpyrazol-3-yl)indazol-5-amine has a molecular weight of 291.31 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3-(2-ethylpyrazol-3-yl)indazol-5-amine is sourced from PubChem (CID 172561780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).