(1-propylpyrazol-3-yl)methyl 4-chloro-6-fluoro-1H-indole-2-carboxylate

C16H15ClFN3O2 — CID 146093988

IUPAC(1-propylpyrazol-3-yl)methyl 4-chloro-6-fluoro-1H-indole-2-carboxylate
SMILESCCCn1ccc(COC(=O)c2cc3c(Cl)cc(F)cc3[nH]2)n1
InChIInChI=1S/C16H15ClFN3O2/c1-2-4-21-5-3-11(20-21)9-23-16(22)15-8-12-13(17)6-10(18)7-14(12)19-15/h3,5-8,19H,2,4,9H2,1H3
InChIKeyRLVMSDIOCYJLQK-UHFFFAOYSA-N
MW335.77 g/mol
LogP3.92
Rot. Bonds5

About (1-propylpyrazol-3-yl)methyl 4-chloro-6-fluoro-1H-indole-2-carboxylate

(1-propylpyrazol-3-yl)methyl 4-chloro-6-fluoro-1H-indole-2-carboxylate (PubChem CID 146093988) has the molecular formula C16H15ClFN3O2 and a molecular weight of 335.77 g/mol. Its IUPAC name is (1-propylpyrazol-3-yl)methyl 4-chloro-6-fluoro-1H-indole-2-carboxylate.

Molecular Properties

Compound Name(1-propylpyrazol-3-yl)methyl 4-chloro-6-fluoro-1H-indole-2-carboxylate
PubChem CID146093988
Molecular FormulaC16H15ClFN3O2
Molecular Weight335.77 g/mol
Exact Mass335.08
IUPAC Name(1-propylpyrazol-3-yl)methyl 4-chloro-6-fluoro-1H-indole-2-carboxylate
SMILESCCCn1ccc(COC(=O)c2cc3c(Cl)cc(F)cc3[nH]2)n1
InChIInChI=1S/C16H15ClFN3O2/c1-2-4-21-5-3-11(20-21)9-23-16(22)15-8-12-13(17)6-10(18)7-14(12)19-15/h3,5-8,19H,2,4,9H2,1H3
InChIKeyRLVMSDIOCYJLQK-UHFFFAOYSA-N
XLogP3.92
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.77
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-propylpyrazol-3-yl)methyl 4-chloro-6-fluoro-1H-indole-2-carboxylate?
The IUPAC name of (1-propylpyrazol-3-yl)methyl 4-chloro-6-fluoro-1H-indole-2-carboxylate (CID 146093988) is (1-propylpyrazol-3-yl)methyl 4-chloro-6-fluoro-1H-indole-2-carboxylate.
What is the SMILES notation for (1-propylpyrazol-3-yl)methyl 4-chloro-6-fluoro-1H-indole-2-carboxylate?
The canonical SMILES for (1-propylpyrazol-3-yl)methyl 4-chloro-6-fluoro-1H-indole-2-carboxylate is CCCn1ccc(COC(=O)c2cc3c(Cl)cc(F)cc3[nH]2)n1.
What is the InChIKey of (1-propylpyrazol-3-yl)methyl 4-chloro-6-fluoro-1H-indole-2-carboxylate?
The InChIKey is RLVMSDIOCYJLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN3O2/c1-2-4-21-5-3-11(20-21)9-23-16(22)15-8-12-13(17)6-10(18)7-14(12)19-15/h3,5-8,19H,2,4,9H2,1H3.
What are the key properties of (1-propylpyrazol-3-yl)methyl 4-chloro-6-fluoro-1H-indole-2-carboxylate?
(1-propylpyrazol-3-yl)methyl 4-chloro-6-fluoro-1H-indole-2-carboxylate has a molecular weight of 335.77 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propylpyrazol-3-yl)methyl 4-chloro-6-fluoro-1H-indole-2-carboxylate is sourced from PubChem (CID 146093988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).