5-chloro-N-[1-(3-ethyl-1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide

C18H19ClN4O — CID 126715119

IUPAC5-chloro-N-[1-(3-ethyl-1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
SMILESCCc1nn(C)cc1C1(NC(=O)c2cc3cc(Cl)ccc3[nH]2)CC1
InChIInChI=1S/C18H19ClN4O/c1-3-14-13(10-23(2)22-14)18(6-7-18)21-17(24)16-9-11-8-12(19)4-5-15(11)20-16/h4-5,8-10,20H,3,6-7H2,1-2H3,(H,21,24)
InChIKeyXEBLIVMMTBQYRL-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.54
Rot. Bonds4

About 5-chloro-N-[1-(3-ethyl-1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide

5-chloro-N-[1-(3-ethyl-1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide (PubChem CID 126715119) has the molecular formula C18H19ClN4O and a molecular weight of 342.83 g/mol. Its IUPAC name is 5-chloro-N-[1-(3-ethyl-1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-(3-ethyl-1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
PubChem CID126715119
Molecular FormulaC18H19ClN4O
Molecular Weight342.83 g/mol
Exact Mass342.12
IUPAC Name5-chloro-N-[1-(3-ethyl-1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
SMILESCCc1nn(C)cc1C1(NC(=O)c2cc3cc(Cl)ccc3[nH]2)CC1
InChIInChI=1S/C18H19ClN4O/c1-3-14-13(10-23(2)22-14)18(6-7-18)21-17(24)16-9-11-8-12(19)4-5-15(11)20-16/h4-5,8-10,20H,3,6-7H2,1-2H3,(H,21,24)
InChIKeyXEBLIVMMTBQYRL-UHFFFAOYSA-N
XLogP3.54
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(3-ethyl-1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-(3-ethyl-1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide (CID 126715119) is 5-chloro-N-[1-(3-ethyl-1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-(3-ethyl-1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-(3-ethyl-1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide is CCc1nn(C)cc1C1(NC(=O)c2cc3cc(Cl)ccc3[nH]2)CC1.
What is the InChIKey of 5-chloro-N-[1-(3-ethyl-1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide?
The InChIKey is XEBLIVMMTBQYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O/c1-3-14-13(10-23(2)22-14)18(6-7-18)21-17(24)16-9-11-8-12(19)4-5-15(11)20-16/h4-5,8-10,20H,3,6-7H2,1-2H3,(H,21,24).
What are the key properties of 5-chloro-N-[1-(3-ethyl-1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide?
5-chloro-N-[1-(3-ethyl-1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide has a molecular weight of 342.83 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(3-ethyl-1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 126715119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).