N-[2-(4-fluoro-1-methylindazol-3-yl)propan-2-yl]formamide

C12H14FN3O — CID 146613904

IUPACN-[2-(4-fluoro-1-methylindazol-3-yl)propan-2-yl]formamide
SMILESCn1nc(C(C)(C)NC=O)c2c(F)cccc21
InChIInChI=1S/C12H14FN3O/c1-12(2,14-7-17)11-10-8(13)5-4-6-9(10)16(3)15-11/h4-7H,1-3H3,(H,14,17)
InChIKeyQPQJTOVJYWSSBM-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.69
Rot. Bonds3

About N-[2-(4-fluoro-1-methylindazol-3-yl)propan-2-yl]formamide

N-[2-(4-fluoro-1-methylindazol-3-yl)propan-2-yl]formamide (PubChem CID 146613904) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is N-[2-(4-fluoro-1-methylindazol-3-yl)propan-2-yl]formamide.

Molecular Properties

Compound NameN-[2-(4-fluoro-1-methylindazol-3-yl)propan-2-yl]formamide
PubChem CID146613904
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC NameN-[2-(4-fluoro-1-methylindazol-3-yl)propan-2-yl]formamide
SMILESCn1nc(C(C)(C)NC=O)c2c(F)cccc21
InChIInChI=1S/C12H14FN3O/c1-12(2,14-7-17)11-10-8(13)5-4-6-9(10)16(3)15-11/h4-7H,1-3H3,(H,14,17)
InChIKeyQPQJTOVJYWSSBM-UHFFFAOYSA-N
XLogP1.69
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 9859429
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CID 44452853
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CID 86291964
CID 86291964
CID 11542827
CID 11542827
CID 56837420
CID 56837420
CID 86291761
CID 86291761
CID 86294657
CID 86294657
CID 132099124
CID 132099124
CID 19354457
CID 19354457
CID 62141666
CID 62141666
CID 7537468
CID 7537468
CID 65836719
CID 65836719

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoro-1-methylindazol-3-yl)propan-2-yl]formamide?
The IUPAC name of N-[2-(4-fluoro-1-methylindazol-3-yl)propan-2-yl]formamide (CID 146613904) is N-[2-(4-fluoro-1-methylindazol-3-yl)propan-2-yl]formamide.
What is the SMILES notation for N-[2-(4-fluoro-1-methylindazol-3-yl)propan-2-yl]formamide?
The canonical SMILES for N-[2-(4-fluoro-1-methylindazol-3-yl)propan-2-yl]formamide is Cn1nc(C(C)(C)NC=O)c2c(F)cccc21.
What is the InChIKey of N-[2-(4-fluoro-1-methylindazol-3-yl)propan-2-yl]formamide?
The InChIKey is QPQJTOVJYWSSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-12(2,14-7-17)11-10-8(13)5-4-6-9(10)16(3)15-11/h4-7H,1-3H3,(H,14,17).
What are the key properties of N-[2-(4-fluoro-1-methylindazol-3-yl)propan-2-yl]formamide?
N-[2-(4-fluoro-1-methylindazol-3-yl)propan-2-yl]formamide has a molecular weight of 235.26 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoro-1-methylindazol-3-yl)propan-2-yl]formamide is sourced from PubChem (CID 146613904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).