7-chloro-N-(4-cyano-1-methylpyrazol-5-yl)-1H-indole-2-carboxamide

C14H10ClN5O — CID 108737124

IUPAC7-chloro-N-(4-cyano-1-methylpyrazol-5-yl)-1H-indole-2-carboxamide
SMILESCn1ncc(C#N)c1NC(=O)c1cc2cccc(Cl)c2[nH]1
InChIInChI=1S/C14H10ClN5O/c1-20-13(9(6-16)7-17-20)19-14(21)11-5-8-3-2-4-10(15)12(8)18-11/h2-5,7,18H,1H3,(H,19,21)
InChIKeyQEJYSVXNPZBUCB-UHFFFAOYSA-N
MW299.72 g/mol
LogP2.68
Rot. Bonds2

About 7-chloro-N-(4-cyano-1-methylpyrazol-5-yl)-1H-indole-2-carboxamide

7-chloro-N-(4-cyano-1-methylpyrazol-5-yl)-1H-indole-2-carboxamide (PubChem CID 108737124) has the molecular formula C14H10ClN5O and a molecular weight of 299.72 g/mol. Its IUPAC name is 7-chloro-N-(4-cyano-1-methylpyrazol-5-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-(4-cyano-1-methylpyrazol-5-yl)-1H-indole-2-carboxamide
PubChem CID108737124
Molecular FormulaC14H10ClN5O
Molecular Weight299.72 g/mol
Exact Mass299.06
IUPAC Name7-chloro-N-(4-cyano-1-methylpyrazol-5-yl)-1H-indole-2-carboxamide
SMILESCn1ncc(C#N)c1NC(=O)c1cc2cccc(Cl)c2[nH]1
InChIInChI=1S/C14H10ClN5O/c1-20-13(9(6-16)7-17-20)19-14(21)11-5-8-3-2-4-10(15)12(8)18-11/h2-5,7,18H,1H3,(H,19,21)
InChIKeyQEJYSVXNPZBUCB-UHFFFAOYSA-N
XLogP2.68
TPSA86.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(4-cyano-1-methylpyrazol-5-yl)-1H-indole-2-carboxamide?
The IUPAC name of 7-chloro-N-(4-cyano-1-methylpyrazol-5-yl)-1H-indole-2-carboxamide (CID 108737124) is 7-chloro-N-(4-cyano-1-methylpyrazol-5-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 7-chloro-N-(4-cyano-1-methylpyrazol-5-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 7-chloro-N-(4-cyano-1-methylpyrazol-5-yl)-1H-indole-2-carboxamide is Cn1ncc(C#N)c1NC(=O)c1cc2cccc(Cl)c2[nH]1.
What is the InChIKey of 7-chloro-N-(4-cyano-1-methylpyrazol-5-yl)-1H-indole-2-carboxamide?
The InChIKey is QEJYSVXNPZBUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN5O/c1-20-13(9(6-16)7-17-20)19-14(21)11-5-8-3-2-4-10(15)12(8)18-11/h2-5,7,18H,1H3,(H,19,21).
What are the key properties of 7-chloro-N-(4-cyano-1-methylpyrazol-5-yl)-1H-indole-2-carboxamide?
7-chloro-N-(4-cyano-1-methylpyrazol-5-yl)-1H-indole-2-carboxamide has a molecular weight of 299.72 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(4-cyano-1-methylpyrazol-5-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 108737124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).