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

C17H17ClN4O — CID 118425246

IUPAC5-chloro-N-[1-(1-ethylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
SMILESCCn1cc(C2(NC(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cn1
InChIInChI=1S/C17H17ClN4O/c1-2-22-10-12(9-19-22)17(5-6-17)21-16(23)15-8-11-7-13(18)3-4-14(11)20-15/h3-4,7-10,20H,2,5-6H2,1H3,(H,21,23)
InChIKeyWNKIIMNBGUKZGJ-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.46
Rot. Bonds4

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

5-chloro-N-[1-(1-ethylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide (PubChem CID 118425246) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is 5-chloro-N-[1-(1-ethylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-(1-ethylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
PubChem CID118425246
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC Name5-chloro-N-[1-(1-ethylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
SMILESCCn1cc(C2(NC(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cn1
InChIInChI=1S/C17H17ClN4O/c1-2-22-10-12(9-19-22)17(5-6-17)21-16(23)15-8-11-7-13(18)3-4-14(11)20-15/h3-4,7-10,20H,2,5-6H2,1H3,(H,21,23)
InChIKeyWNKIIMNBGUKZGJ-UHFFFAOYSA-N
XLogP3.46
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.46
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-(1-ethylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-(1-ethylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide (CID 118425246) is 5-chloro-N-[1-(1-ethylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-(1-ethylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-(1-ethylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide is CCn1cc(C2(NC(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cn1.
What is the InChIKey of 5-chloro-N-[1-(1-ethylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide?
The InChIKey is WNKIIMNBGUKZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O/c1-2-22-10-12(9-19-22)17(5-6-17)21-16(23)15-8-11-7-13(18)3-4-14(11)20-15/h3-4,7-10,20H,2,5-6H2,1H3,(H,21,23).
What are the key properties of 5-chloro-N-[1-(1-ethylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide?
5-chloro-N-[1-(1-ethylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide has a molecular weight of 328.80 g/mol, XLogP of 3.46, 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-(1-ethylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 118425246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).